Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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4,096 – 4,110 of 268,062 results

4,096

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3-Bromo-4-hydroxypyridine, 97%

CAS: 36953-41-0 Molecular Formula: C5H4BrNO Molecular Weight (g/mol): 173.997 MDL Number: MFCD01646107 InChI Key: JWHZKNRXTDYNJO-UHFFFAOYSA-N Synonym: 3-bromo-4-pyridinol,3-bromo-4-hydroxypyridine,3-bromopyridin-4-ol,3-bromopyridin-4 1h-one,4-pyridinol, 3-bromo,pubchem6678,3-bromopyridine-4-ol,3-bromo-4-pyridinol #,4-hydroxy-3-bromopyridine,pyridin-4-ol, 3-bromo PubChem CID: 599549 IUPAC Name: 3-bromo-1H-pyridin-4-one SMILES: C1=CNC=C(C1=O)Br

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Specifications

PubChem CID	599549
CAS	36953-41-0
Molecular Weight (g/mol)	173.997
MDL Number	MFCD01646107
SMILES	C1=CNC=C(C1=O)Br
Synonym	3-bromo-4-pyridinol,3-bromo-4-hydroxypyridine,3-bromopyridin-4-ol,3-bromopyridin-4 1h-one,4-pyridinol, 3-bromo,pubchem6678,3-bromopyridine-4-ol,3-bromo-4-pyridinol #,4-hydroxy-3-bromopyridine,pyridin-4-ol, 3-bromo
IUPAC Name	3-bromo-1H-pyridin-4-one
InChI Key	JWHZKNRXTDYNJO-UHFFFAOYSA-N
Molecular Formula	C5H4BrNO

4,097

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Ethyl 1-Boc-DL-nipecotate, 97%, Thermo Scientific Chemicals

CAS: 130250-54-3 Molecular Formula: C13H23NO4 Molecular Weight (g/mol): 257.33 MDL Number: MFCD04116274 InChI Key: YCXCRFGBFZTUSU-UHFFFAOYSA-N Synonym: ethyl 1-boc-3-piperidinecarboxylate,1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate,ethyl n-boc-piperidine-3-carboxylate,ethyl n-boc-3-piperidinecarboxylate,ethyl1-boc-3-piperidinecarboxylate,1-boc-piperidine-3-carboxylic acid ethyl ester,ethyl-n-boc-piperidine-3-carboxylate,1-tert-butyl 3-ethyl tetrahydro-1,3 2h-pyridinedicarboxylate,1,3-piperidinedicarboxylic acid, 1-1,1-dimethylethyl 3-ethyl ester,piperidine-1,3-dicarboxylic acid 1-tert-butyl 3-ethyl ester PubChem CID: 357727 IUPAC Name: 1-O-tert-butyl 3-O-ethyl piperidine-1,3-dicarboxylate SMILES: CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C

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Specifications

PubChem CID	357727
CAS	130250-54-3
Molecular Weight (g/mol)	257.33
MDL Number	MFCD04116274
SMILES	CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
Synonym	ethyl 1-boc-3-piperidinecarboxylate,1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate,ethyl n-boc-piperidine-3-carboxylate,ethyl n-boc-3-piperidinecarboxylate,ethyl1-boc-3-piperidinecarboxylate,1-boc-piperidine-3-carboxylic acid ethyl ester,ethyl-n-boc-piperidine-3-carboxylate,1-tert-butyl 3-ethyl tetrahydro-1,3 2h-pyridinedicarboxylate,1,3-piperidinedicarboxylic acid, 1-1,1-dimethylethyl 3-ethyl ester,piperidine-1,3-dicarboxylic acid 1-tert-butyl 3-ethyl ester
IUPAC Name	1-O-tert-butyl 3-O-ethyl piperidine-1,3-dicarboxylate
InChI Key	YCXCRFGBFZTUSU-UHFFFAOYSA-N
Molecular Formula	C13H23NO4

4,098

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3-Fluoro-2-nitropyridine, 96%

CAS: 54231-35-5 Molecular Formula: C5H3FN2O2 Molecular Weight (g/mol): 142.089 MDL Number: MFCD04114127 InChI Key: IJVFHCSUEBAAOZ-UHFFFAOYSA-N Synonym: 2-nitro-3-fluoropyridine,3-fluoro-2-nitro-pyridine,pyridine, 3-fluoro-2-nitro,pubchem2185,3-fluor-2-nitropyridin,pyfn51,3-fluoro 2-nitro pyridine,pyridine,3-fluoro-2-nitro,pyridine, 3-fluoro-2-nitro-9ci PubChem CID: 2762802 IUPAC Name: 3-fluoro-2-nitropyridine SMILES: C1=CC(=C(N=C1)[N+](=O)[O-])F

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Specifications

PubChem CID	2762802
CAS	54231-35-5
Molecular Weight (g/mol)	142.089
MDL Number	MFCD04114127
SMILES	C1=CC(=C(N=C1)[N+](=O)[O-])F
Synonym	2-nitro-3-fluoropyridine,3-fluoro-2-nitro-pyridine,pyridine, 3-fluoro-2-nitro,pubchem2185,3-fluor-2-nitropyridin,pyfn51,3-fluoro 2-nitro pyridine,pyridine,3-fluoro-2-nitro,pyridine, 3-fluoro-2-nitro-9ci
IUPAC Name	3-fluoro-2-nitropyridine
InChI Key	IJVFHCSUEBAAOZ-UHFFFAOYSA-N
Molecular Formula	C5H3FN2O2

4,099

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3-Fluoro-2-hydroxypyridine, 97%

CAS: 1547-29-1 Molecular Formula: C5H4FNO Molecular Weight (g/mol): 113.091 MDL Number: MFCD03095042 InChI Key: CISUDJRBCKKAGX-UHFFFAOYSA-N Synonym: 3-fluoro-2-hydroxypyridine,3-fluoropyridin-2-ol,3-fluoro-2-pyridinol,2 1h-pyridinone, 3-fluoro,3-fluoropyridin-2 1h-one,3-fluoro-pyridin-2-ol,3-fluoro-2-pyridone,3-fluoro-2-hydroxypyridine, 3-fluoro-2-pyridone,fluoropyridone,pubchem1200 PubChem CID: 2783363 IUPAC Name: 3-fluoro-1H-pyridin-2-one SMILES: C1=CNC(=O)C(=C1)F

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PubChem CID	2783363
CAS	1547-29-1
Molecular Weight (g/mol)	113.091
MDL Number	MFCD03095042
SMILES	C1=CNC(=O)C(=C1)F
Synonym	3-fluoro-2-hydroxypyridine,3-fluoropyridin-2-ol,3-fluoro-2-pyridinol,2 1h-pyridinone, 3-fluoro,3-fluoropyridin-2 1h-one,3-fluoro-pyridin-2-ol,3-fluoro-2-pyridone,3-fluoro-2-hydroxypyridine, 3-fluoro-2-pyridone,fluoropyridone,pubchem1200
IUPAC Name	3-fluoro-1H-pyridin-2-one
InChI Key	CISUDJRBCKKAGX-UHFFFAOYSA-N
Molecular Formula	C5H4FNO

4,100

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3-Methylpyridine-4-boronic acid pinacol ester, 95%

CAS: 1032358-00-1 Molecular Formula: C12H18BNO2 Molecular Weight (g/mol): 219.091 MDL Number: MFCD07374972 InChI Key: MMCGEOWPLNVYGO-UHFFFAOYSA-N Synonym: 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3-methylpyridine-4-boronic acid pinacol ester,3-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine, 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-methylpyridin-4-ylboronic acid pinacol ester,2-3-methyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine PubChem CID: 45588135 IUPAC Name: 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C

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Specifications

PubChem CID	45588135
CAS	1032358-00-1
Molecular Weight (g/mol)	219.091
MDL Number	MFCD07374972
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)C
Synonym	3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3-methylpyridine-4-boronic acid pinacol ester,3-methyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,pyridine, 3-methyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,3-methylpyridin-4-ylboronic acid pinacol ester,2-3-methyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridine,3-methyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine
IUPAC Name	3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI Key	MMCGEOWPLNVYGO-UHFFFAOYSA-N
Molecular Formula	C12H18BNO2

4,101

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2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

CAS: 70291-62-2 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00121495 InChI Key: RILAXFOADRDGPQ-UHFFFAOYSA-N PubChem CID: 258182 IUPAC Name: 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile SMILES: NC1=C(C#N)C2=C(CCC2)S1

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Specifications

PubChem CID	258182
CAS	70291-62-2
Molecular Weight (g/mol)	164.23
MDL Number	MFCD00121495
SMILES	NC1=C(C#N)C2=C(CCC2)S1
IUPAC Name	2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
InChI Key	RILAXFOADRDGPQ-UHFFFAOYSA-N
Molecular Formula	C8H8N2S

4,102

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4-Chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 96%

CAS: 300816-22-2 Molecular Formula: C9H7ClN2S Molecular Weight (g/mol): 210.68 MDL Number: MFCD00572400 InChI Key: JKXJMJPJOYMQSK-UHFFFAOYSA-N PubChem CID: 789817 IUPAC Name: 1-chloro-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine SMILES: ClC1=C2C3=C(CCC3)SC2=NC=N1

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Specifications

PubChem CID	789817
CAS	300816-22-2
Molecular Weight (g/mol)	210.68
MDL Number	MFCD00572400
SMILES	ClC1=C2C3=C(CCC3)SC2=NC=N1
IUPAC Name	1-chloro-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine
InChI Key	JKXJMJPJOYMQSK-UHFFFAOYSA-N
Molecular Formula	C9H7ClN2S

4,103

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3,5-Dimethylpyridine-4-boronic acid pinacol ester, 95%

CAS: 1032358-02-3 Molecular Formula: C13H20BNO2 Molecular Weight (g/mol): 233.12 MDL Number: MFCD10566506 InChI Key: PLCYEDJFSPVVLL-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3,5-dimethylpyridine-4-boronic acid pinacol ester,2-3,5-dimethyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine PubChem CID: 45588136 IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1=CN=CC(C)=C1B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	45588136
CAS	1032358-02-3
Molecular Weight (g/mol)	233.12
MDL Number	MFCD10566506
SMILES	CC1=CN=CC(C)=C1B1OC(C)(C)C(C)(C)O1
Synonym	3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,3,5-dimethylpyridine-4-boronic acid pinacol ester,2-3,5-dimethyl-4-pyridinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3,5-dimethyl-4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridine,3,5-dimethyl-4-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine
IUPAC Name	3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI Key	PLCYEDJFSPVVLL-UHFFFAOYSA-N
Molecular Formula	C13H20BNO2

4,104

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1-Methyl-3-n-octylimidazolium bis(trifluoromethylsulfonyl)imide, 99%

CAS: 178631-04-4 Molecular Formula: C14H23F6N3O4S2 Molecular Weight (g/mol): 475.465 MDL Number: MFCD08458946 InChI Key: LECQXINNQGHJBM-UHFFFAOYSA-N Synonym: 1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide PubChem CID: 12184591 IUPAC Name: bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium SMILES: CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	12184591
CAS	178631-04-4
Molecular Weight (g/mol)	475.465
MDL Number	MFCD08458946
SMILES	CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
Synonym	1-methyl-3-octylimidazolium bis trifluoromethylsulfonyl imide,dsstox_cid_27931,dsstox_rid_82684,dsstox_gsid_47955,1-octyl-3-methylimidazolium; bistriflylimide anion,1-n-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-octyl-3-methylimidazolium bis trifluoromethylsulfonyl imide,1-methyl-3-n-octylimidazolium bis trifluoromethanesulfonyl imide
IUPAC Name	bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium
InChI Key	LECQXINNQGHJBM-UHFFFAOYSA-N
Molecular Formula	C14H23F6N3O4S2

4,105

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(S)-1,4-Diazabicyclo[4.3.0]nonane, 98+%

CAS: 93643-24-4 Molecular Formula: C7H14N2 Molecular Weight (g/mol): 126.20 MDL Number: MFCD03787926 InChI Key: FTTATHOUSOIFOQ-SSDOTTSWSA-N Synonym: s-octahydropyrrolo 1,2-a pyrazine,s-1,4-diazabicyclo 4.3.0 nonane,8as-octahydropyrrolo 1,2-a pyrazine,8as-octahydropyrrolo 1,2-a piperazine,s-octahydro-pyrrolo 1,2-a pyrazine,6s-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8as,8as-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-a pyrazine,pubchem20597,6s-1,4-diazabicyclo 4,3,0 nonane PubChem CID: 781249 SMILES: C1C[C@@H]2CNCCN2C1

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Specifications

PubChem CID	781249
CAS	93643-24-4
Molecular Weight (g/mol)	126.20
MDL Number	MFCD03787926
SMILES	C1C[C@@H]2CNCCN2C1
Synonym	s-octahydropyrrolo 1,2-a pyrazine,s-1,4-diazabicyclo 4.3.0 nonane,8as-octahydropyrrolo 1,2-a pyrazine,8as-octahydropyrrolo 1,2-a piperazine,s-octahydro-pyrrolo 1,2-a pyrazine,6s-1,4-diazabicyclo 4.3.0 nonane,pyrrolo 1,2-a pyrazine, octahydro-, 8as,8as-1,2,3,4,6,7,8,8a-octahydropyrrolo 1,2-a pyrazine,pubchem20597,6s-1,4-diazabicyclo 4,3,0 nonane
InChI Key	FTTATHOUSOIFOQ-SSDOTTSWSA-N
Molecular Formula	C7H14N2

4,106

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3-Bromo-1H-indazole, 97%

CAS: 40598-94-5 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD00159926 InChI Key: HTKXRTUKPXEALT-UHFFFAOYSA-N PubChem CID: 721568 IUPAC Name: 3-bromo-2H-indazole SMILES: C1=CC2=C(NN=C2C=C1)Br

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Specifications

PubChem CID	721568
CAS	40598-94-5
Molecular Weight (g/mol)	197.035
MDL Number	MFCD00159926
SMILES	C1=CC2=C(NN=C2C=C1)Br
IUPAC Name	3-bromo-2H-indazole
InChI Key	HTKXRTUKPXEALT-UHFFFAOYSA-N
Molecular Formula	C7H5BrN2

4,107

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6-Bromo-1,8-naphthyridin-2(1H)-one, 98%

CAS: 72754-05-3 Molecular Formula: C8H5BrN2O Molecular Weight (g/mol): 225.05 MDL Number: MFCD07781151 InChI Key: BCEWGGGNOQNYKK-UHFFFAOYSA-N PubChem CID: 12520144 IUPAC Name: 6-bromo-1H-1,8-naphthyridin-2-one SMILES: BrC1=CN=C2NC(=O)C=CC2=C1

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Specifications

PubChem CID	12520144
CAS	72754-05-3
Molecular Weight (g/mol)	225.05
MDL Number	MFCD07781151
SMILES	BrC1=CN=C2NC(=O)C=CC2=C1
IUPAC Name	6-bromo-1H-1,8-naphthyridin-2-one
InChI Key	BCEWGGGNOQNYKK-UHFFFAOYSA-N
Molecular Formula	C8H5BrN2O

4,108

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4-Methyl-5-(2-pyrazinyl)-1,2-dithiole-3-thione

CAS: 64224-21-1 Molecular Formula: C8H6N2S3 Molecular Weight (g/mol): 226.33 MDL Number: MFCD00868499 InChI Key: CKNAQFVBEHDJQV-UHFFFAOYSA-N Synonym: oltipraz,oltiprazum,4-methyl-5-pyrazin-2-yl-3h-1,2-dithiole-3-thione,ccris 4048,oltipraz inn,4-methyl-5-pyrazinyl-3h-1,2-dithiole-3-thione,oltiprazum inn-latin,unii-6n510jul1y,5-2-pyrazinyl-4-methyl-1,2-dithiole-3-thione,3h-1,2-dithiole-3-thione, 4-methyl-5-pyrazinyl PubChem CID: 47318 ChEBI: CHEBI:77319 IUPAC Name: 4-methyl-5-pyrazin-2-yldithiole-3-thione SMILES: CC1=C(SSC1=S)C1=CN=CC=N1

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Specifications

PubChem CID	47318
CAS	64224-21-1
Molecular Weight (g/mol)	226.33
ChEBI	CHEBI:77319
MDL Number	MFCD00868499
SMILES	CC1=C(SSC1=S)C1=CN=CC=N1
Synonym	oltipraz,oltiprazum,4-methyl-5-pyrazin-2-yl-3h-1,2-dithiole-3-thione,ccris 4048,oltipraz inn,4-methyl-5-pyrazinyl-3h-1,2-dithiole-3-thione,oltiprazum inn-latin,unii-6n510jul1y,5-2-pyrazinyl-4-methyl-1,2-dithiole-3-thione,3h-1,2-dithiole-3-thione, 4-methyl-5-pyrazinyl
IUPAC Name	4-methyl-5-pyrazin-2-yldithiole-3-thione
InChI Key	CKNAQFVBEHDJQV-UHFFFAOYSA-N
Molecular Formula	C8H6N2S3

4,109

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1-(3-Chloro-2-pyridyl)piperazine, 98%

CAS: 87394-55-6 Molecular Formula: C9H12ClN3 Molecular Weight (g/mol): 197.666 MDL Number: MFCD08061034 InChI Key: HLCPXCHNWZGOMT-UHFFFAOYSA-N Synonym: 1-3-chloropyridin-2-yl piperazine,1-3-chloro-2-pyridyl piperazine,1-3-chloro-pyridin-2-yl-piperazine,1-3-chloro-2-pyridinyl piperazine,acmc-20apbr,3-chloro-2-pyridyl piperazine,n 3-chloropyridin-2-yl-piperazine,n-3-chloropyridin-2-yl-piperazine,piperazine,1-3-chloro-2-pyridinyl PubChem CID: 11412944 IUPAC Name: 1-(3-chloropyridin-2-yl)piperazine SMILES: C1CN(CCN1)C2=C(C=CC=N2)Cl

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Specifications

PubChem CID	11412944
CAS	87394-55-6
Molecular Weight (g/mol)	197.666
MDL Number	MFCD08061034
SMILES	C1CN(CCN1)C2=C(C=CC=N2)Cl
Synonym	1-3-chloropyridin-2-yl piperazine,1-3-chloro-2-pyridyl piperazine,1-3-chloro-pyridin-2-yl-piperazine,1-3-chloro-2-pyridinyl piperazine,acmc-20apbr,3-chloro-2-pyridyl piperazine,n 3-chloropyridin-2-yl-piperazine,n-3-chloropyridin-2-yl-piperazine,piperazine,1-3-chloro-2-pyridinyl
IUPAC Name	1-(3-chloropyridin-2-yl)piperazine
InChI Key	HLCPXCHNWZGOMT-UHFFFAOYSA-N
Molecular Formula	C9H12ClN3

4,110

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3-Methyl-5-phenyl-1H-pyrazole, Thermo Scientific Chemicals

CAS: 3347-62-4 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00022385,MFCD00524752 InChI Key: QHRSESMSOJZMCO-UHFFFAOYSA-N PubChem CID: 18774 IUPAC Name: 5-methyl-3-phenyl-1H-pyrazole SMILES: CC1=CC(=NN1)C1=CC=CC=C1

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Specifications

PubChem CID	18774
CAS	3347-62-4
Molecular Weight (g/mol)	158.20
MDL Number	MFCD00022385,MFCD00524752
SMILES	CC1=CC(=NN1)C1=CC=CC=C1
IUPAC Name	5-methyl-3-phenyl-1H-pyrazole
InChI Key	QHRSESMSOJZMCO-UHFFFAOYSA-N
Molecular Formula	C10H10N2

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