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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3,961 – 3,975 of 219,023 results

3,961

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Isonipecotamide, 98%

CAS: 39546-32-2 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00038012 InChI Key: DPBWFNDFMCCGGJ-UHFFFAOYSA-N Synonym: isonipecotamide,4-piperidinecarboxamide,hexahydroisonicotinamide,4-carbamoylpiperidine,isonipectoamide,piperidine-4-carboxylic acid amide,4-piperdinecarboxamide,piperidin-4-carboxamid,iso nipecotamide,iso-nipecotamide PubChem CID: 3772 IUPAC Name: piperidine-4-carboxamide SMILES: NC(=O)C1CCNCC1

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Specifications

PubChem CID	3772
CAS	39546-32-2
Molecular Weight (g/mol)	128.18
MDL Number	MFCD00038012
SMILES	NC(=O)C1CCNCC1
Synonym	isonipecotamide,4-piperidinecarboxamide,hexahydroisonicotinamide,4-carbamoylpiperidine,isonipectoamide,piperidine-4-carboxylic acid amide,4-piperdinecarboxamide,piperidin-4-carboxamid,iso nipecotamide,iso-nipecotamide
IUPAC Name	piperidine-4-carboxamide
InChI Key	DPBWFNDFMCCGGJ-UHFFFAOYSA-N
Molecular Formula	C6H12N2O

3,962

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Methyl 5-bromo-6-chloronicotinate, 98%

CAS: 78686-77-8 Molecular Formula: C7H5BrClNO2 Molecular Weight (g/mol): 250.476 MDL Number: MFCD03844855 InChI Key: WINGWVOUOFMOJQ-UHFFFAOYSA-N PubChem CID: 2764313 IUPAC Name: methyl 5-bromo-6-chloropyridine-3-carboxylate SMILES: COC(=O)C1=CC(=C(N=C1)Cl)Br

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Specifications

PubChem CID	2764313
CAS	78686-77-8
Molecular Weight (g/mol)	250.476
MDL Number	MFCD03844855
SMILES	COC(=O)C1=CC(=C(N=C1)Cl)Br
IUPAC Name	methyl 5-bromo-6-chloropyridine-3-carboxylate
InChI Key	WINGWVOUOFMOJQ-UHFFFAOYSA-N
Molecular Formula	C7H5BrClNO2

3,963

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6-Iodo-1,4-benzodioxane, 95%, remainder mainly 5-isomer

CAS: 57744-67-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.05 MDL Number: MFCD00221460 InChI Key: HZTMYTXWFHBHDC-UHFFFAOYSA-N Synonym: 3,4-ethylenedioxyiodobenzene,6-iodo-2,3-dihydrobenzo b 1,4 dioxine,6-iodobenzodioxane,acmc-1azse,6-iodo-1,4-benzodioxane,6-iodo-2h,3h-benzo e 1,4-dioxin,2,3-dihydro-6-iodobenzo 1,4 dioxin,1,4-benzodioxin,2,3-dihydro-6-iodo PubChem CID: 2776176 IUPAC Name: 6-iodo-2,3-dihydro-1,4-benzodioxine SMILES: IC1=CC=C2OCCOC2=C1

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Specifications

PubChem CID	2776176
CAS	57744-67-9
Molecular Weight (g/mol)	262.05
MDL Number	MFCD00221460
SMILES	IC1=CC=C2OCCOC2=C1
Synonym	3,4-ethylenedioxyiodobenzene,6-iodo-2,3-dihydrobenzo b 1,4 dioxine,6-iodobenzodioxane,acmc-1azse,6-iodo-1,4-benzodioxane,6-iodo-2h,3h-benzo e 1,4-dioxin,2,3-dihydro-6-iodobenzo 1,4 dioxin,1,4-benzodioxin,2,3-dihydro-6-iodo
IUPAC Name	6-iodo-2,3-dihydro-1,4-benzodioxine
InChI Key	HZTMYTXWFHBHDC-UHFFFAOYSA-N
Molecular Formula	C8H7IO2

3,964

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4-(9-Carbazolyl)benzeneboronic acid, 98%

CAS: 419536-33-7 Molecular Formula: C18H14BNO2 Molecular Weight (g/mol): 287.13 MDL Number: MFCD13176534 InChI Key: JGAVTCVHDMOQTJ-UHFFFAOYSA-N Synonym: 4-9h-carbazol-9-yl phenyl boronic acid,4-9h-carbozol-9-yl phenylboronic acid,4-9h-carbazol-9-yl phenylboronic acid,4-9-carbazolyl benzeneboronic acid,4-9h-9-carbozale phenylboronic acid,4-9-carbazolyl phenylboronic acid,4-carbazol-9-yl phenylboronic acid,boronic acid, 4-9h-carbazol-9-yl phenyl,amtb338 PubChem CID: 23120827 SMILES: OB(O)C1=CC=C(C=C1)N1C2=C(C=CC=C2)C2=C1C=CC=C2

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Specifications

PubChem CID	23120827
CAS	419536-33-7
Molecular Weight (g/mol)	287.13
MDL Number	MFCD13176534
SMILES	OB(O)C1=CC=C(C=C1)N1C2=C(C=CC=C2)C2=C1C=CC=C2
Synonym	4-9h-carbazol-9-yl phenyl boronic acid,4-9h-carbozol-9-yl phenylboronic acid,4-9h-carbazol-9-yl phenylboronic acid,4-9-carbazolyl benzeneboronic acid,4-9h-9-carbozale phenylboronic acid,4-9-carbazolyl phenylboronic acid,4-carbazol-9-yl phenylboronic acid,boronic acid, 4-9h-carbazol-9-yl phenyl,amtb338
InChI Key	JGAVTCVHDMOQTJ-UHFFFAOYSA-N
Molecular Formula	C18H14BNO2

3,965

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(+/-)-1,4-Diazabicyclo[4.4.0]decane, 98+%

CAS: 4430-75-5 Molecular Formula: C8H16N2 Molecular Weight (g/mol): 140.23 MDL Number: MFCD01098257 InChI Key: ONHPOXROAPYCGT-UHFFFAOYNA-N Synonym: octahydro-1h-pyrido 1,2-a pyrazine,octahydro-2h-pyrido 1,2-a pyrazine,octahydro-pyrido 1,2-a pyrazine,1,4-diazabicyclo 4.4.0 decane,octahydro-1h-pyrido 1,2-a piperazine,chembl98511,octahydropyrido 1,2-a pyrazine,2,3,4,6,7,8,9,9a-octahydro-1h-pyrido 1,2-a pyrazine,+/--1,4-diazabicyclo,octahydropyrido 1,2-a-pyrazine PubChem CID: 2876391 IUPAC Name: octahydro-1H-pyrido[1,2-a]pyrazine SMILES: C1CCN2CCNCC2C1

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Specifications

PubChem CID	2876391
CAS	4430-75-5
Molecular Weight (g/mol)	140.23
MDL Number	MFCD01098257
SMILES	C1CCN2CCNCC2C1
Synonym	octahydro-1h-pyrido 1,2-a pyrazine,octahydro-2h-pyrido 1,2-a pyrazine,octahydro-pyrido 1,2-a pyrazine,1,4-diazabicyclo 4.4.0 decane,octahydro-1h-pyrido 1,2-a piperazine,chembl98511,octahydropyrido 1,2-a pyrazine,2,3,4,6,7,8,9,9a-octahydro-1h-pyrido 1,2-a pyrazine,+/--1,4-diazabicyclo,octahydropyrido 1,2-a-pyrazine
IUPAC Name	octahydro-1H-pyrido[1,2-a]pyrazine
InChI Key	ONHPOXROAPYCGT-UHFFFAOYNA-N
Molecular Formula	C8H16N2

3,966

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6-(Trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid hydrate, 95%, Thermo Scientific™

CAS: 1858251-06-5 Molecular Formula: C9H7F3N2O3 Molecular Weight (g/mol): 248.161 MDL Number: MFCD22682819 InChI Key: HECZGTGLQVJBSB-UHFFFAOYSA-N Synonym: 6-trifluoromethyl imidazo 1,2-a pyridine-2-carboxylic acid hydrate PubChem CID: 112758303 IUPAC Name: 6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;hydrate SMILES: C1=CC2=NC(=CN2C=C1C(F)(F)F)C(=O)O.O

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Specifications

PubChem CID	112758303
CAS	1858251-06-5
Molecular Weight (g/mol)	248.161
MDL Number	MFCD22682819
SMILES	C1=CC2=NC(=CN2C=C1C(F)(F)F)C(=O)O.O
Synonym	6-trifluoromethyl imidazo 1,2-a pyridine-2-carboxylic acid hydrate
IUPAC Name	6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;hydrate
InChI Key	HECZGTGLQVJBSB-UHFFFAOYSA-N
Molecular Formula	C9H7F3N2O3

3,967

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2-Bromo-5-nitropyridine, 98%, Thermo Scientific Chemicals

CAS: 4487-59-6 Molecular Formula: C5H3BrN2O2 Molecular Weight (g/mol): 203.00 MDL Number: MFCD00006222 InChI Key: HUUFTVUBFFESEN-UHFFFAOYSA-N Synonym: 2-bromo-5-nitro pyridine,2-bromo-5-nitro-pyridine,5-nitro-2-bromopyridine,2-brom-5-nitropyridin,pubchem1183,acmc-1agnm,2-bromo-5-nitro-pyridin,ksc237s9f,tpc-py095 PubChem CID: 78240 IUPAC Name: 2-bromo-5-nitropyridine SMILES: [O-][N+](=O)C1=CC=C(Br)N=C1

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Specifications

PubChem CID	78240
CAS	4487-59-6
Molecular Weight (g/mol)	203.00
MDL Number	MFCD00006222
SMILES	[O-][N+](=O)C1=CC=C(Br)N=C1
Synonym	2-bromo-5-nitro pyridine,2-bromo-5-nitro-pyridine,5-nitro-2-bromopyridine,2-brom-5-nitropyridin,pubchem1183,acmc-1agnm,2-bromo-5-nitro-pyridin,ksc237s9f,tpc-py095
IUPAC Name	2-bromo-5-nitropyridine
InChI Key	HUUFTVUBFFESEN-UHFFFAOYSA-N
Molecular Formula	C5H3BrN2O2

3,968

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4-Methyl-2-phenylthiazole-5-carboxylic acid, 97%

CAS: 33763-20-1 Molecular Formula: C11H8NO2S Molecular Weight (g/mol): 218.25 MDL Number: MFCD00141955 InChI Key: CRSMRBYEBHOYRM-UHFFFAOYSA-M Synonym: 4-methyl-2-phenylthiazole-5-carboxylic acid,5-thiazolecarboxylic acid, 4-methyl-2-phenyl,4-methyl-2-phenyl-thiazole-5-carboxylic acid,4-methyl-2-phenyl-5-thiazolecarboxylic acid,2-phenyl-4-methylthiazole-5-carboxylic acid,maybridge1_008941,5-thiazolecarboxylicacid, 4-methyl-2-phenyl,4-methyl-2-phenyl-1,3-thiazol-5-carboxylic acid PubChem CID: 720957 IUPAC Name: 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC(=N1)C1=CC=CC=C1)C([O-])=O

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Specifications

PubChem CID	720957
CAS	33763-20-1
Molecular Weight (g/mol)	218.25
MDL Number	MFCD00141955
SMILES	CC1=C(SC(=N1)C1=CC=CC=C1)C([O-])=O
Synonym	4-methyl-2-phenylthiazole-5-carboxylic acid,5-thiazolecarboxylic acid, 4-methyl-2-phenyl,4-methyl-2-phenyl-thiazole-5-carboxylic acid,4-methyl-2-phenyl-5-thiazolecarboxylic acid,2-phenyl-4-methylthiazole-5-carboxylic acid,maybridge1_008941,5-thiazolecarboxylicacid, 4-methyl-2-phenyl,4-methyl-2-phenyl-1,3-thiazol-5-carboxylic acid
IUPAC Name	4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid
InChI Key	CRSMRBYEBHOYRM-UHFFFAOYSA-M
Molecular Formula	C11H8NO2S

3,969

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride, 97+%, Thermo Scientific™

CAS: 519056-67-8 Molecular Formula: C5H4ClF3N2O2S Molecular Weight (g/mol): 248.604 InChI Key: HJFWSNIHZZKYIK-UHFFFAOYSA-N Synonym: 1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl PubChem CID: 2794561 IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride SMILES: CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl

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Specifications

PubChem CID	2794561
CAS	519056-67-8
Molecular Weight (g/mol)	248.604
SMILES	CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl
Synonym	1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonyl chloride,1-methyl-3-trifluoromethyl pyrazole-4-sulfonyl chloride,1h-pyrazole-4-sulfonylchloride,1-methyl-3-trifluoromethyl,chloro 1-methyl-3-trifluoromethyl pyrazol-4-yl sulfone,1-methyl-3-trifluoromethyl-1h-pyrazole-4-sulfonylchloride,1h-pyrazole-4-sulfonyl chloride, 1-methyl-3-trifluoromethyl
IUPAC Name	1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
InChI Key	HJFWSNIHZZKYIK-UHFFFAOYSA-N
Molecular Formula	C5H4ClF3N2O2S

3,970

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1-n-Butylpyridinium bromide, 99%

CAS: 874-80-6 Molecular Formula: C9H14BrN Molecular Weight (g/mol): 216.12 MDL Number: MFCD00671496 InChI Key: KVBQNFMTEUEOCD-UHFFFAOYSA-M Synonym: 1-butylpyridinium bromide,butylpyridinium bromide,1-butylpyridin-1-ium bromide,n-butylpyridinium bromide,unii-f72fd1bswg,f72fd1bswg,1-n-butylpyridinium bromide,pyridinium, 1-butyl-, bromide,1-butylpyridiniumbromide,acmc-209qnu PubChem CID: 2734238 IUPAC Name: 1-butylpyridin-1-ium;bromide SMILES: [Br-].CCCC[N+]1=CC=CC=C1

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Specifications

PubChem CID	2734238
CAS	874-80-6
Molecular Weight (g/mol)	216.12
MDL Number	MFCD00671496
SMILES	[Br-].CCCC[N+]1=CC=CC=C1
Synonym	1-butylpyridinium bromide,butylpyridinium bromide,1-butylpyridin-1-ium bromide,n-butylpyridinium bromide,unii-f72fd1bswg,f72fd1bswg,1-n-butylpyridinium bromide,pyridinium, 1-butyl-, bromide,1-butylpyridiniumbromide,acmc-209qnu
IUPAC Name	1-butylpyridin-1-ium;bromide
InChI Key	KVBQNFMTEUEOCD-UHFFFAOYSA-M
Molecular Formula	C9H14BrN

3,971

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1-Boc-4-(4-aminophenyl)piperazine, 97%

CAS: 170911-92-9 Molecular Formula: C15H23N3O2 Molecular Weight (g/mol): 277.368 MDL Number: MFCD04115065 InChI Key: RXFHRKPNLPBDGE-UHFFFAOYSA-N Synonym: tert-butyl 4-4-aminophenyl piperazine-1-carboxylate,4-4-aminophenyl piperazine-1-carboxylic acid tert-butyl ester,4-4-boc-piperazin-1-yl aniline,1-boc-4-4-aminophenyl piperazine,1-piperazinecarboxylic acid, 4-4-aminophenyl-, 1,1-dimethylethyl ester,4-4-aminophenyl-piperazine-1-carboxylic acid tert-butyl ester,1-boc-4-4'-aminophenyl piperazine dihydrochloride,1-boc-4-4-aminophenyl-piperazine,pubchem12198 PubChem CID: 11011301 IUPAC Name: tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N

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Specifications

PubChem CID	11011301
CAS	170911-92-9
Molecular Weight (g/mol)	277.368
MDL Number	MFCD04115065
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
Synonym	tert-butyl 4-4-aminophenyl piperazine-1-carboxylate,4-4-aminophenyl piperazine-1-carboxylic acid tert-butyl ester,4-4-boc-piperazin-1-yl aniline,1-boc-4-4-aminophenyl piperazine,1-piperazinecarboxylic acid, 4-4-aminophenyl-, 1,1-dimethylethyl ester,4-4-aminophenyl-piperazine-1-carboxylic acid tert-butyl ester,1-boc-4-4'-aminophenyl piperazine dihydrochloride,1-boc-4-4-aminophenyl-piperazine,pubchem12198
IUPAC Name	tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate
InChI Key	RXFHRKPNLPBDGE-UHFFFAOYSA-N
Molecular Formula	C15H23N3O2

3,972

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16-Hexadecanolide, 97%

CAS: 109-29-5 Molecular Formula: C16H30O2 Molecular Weight (g/mol): 254.41 MDL Number: MFCD00039668 InChI Key: LOKPJYNMYCVCRM-UHFFFAOYSA-N Synonym: 16-hexadecanolide,hexadecanolide,cyclohexadecanolide,16-hexadecanolactone,1,16-hexadecanolide,dihydroambrettolide,juniperic acid lactone,1,16-hexadecanolactone,hexadecanolactone,16-hydroxyhexadecanoic acid lactone PubChem CID: 7984 SMILES: O=C1CCCCCCCCCCCCCCCO1

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Specifications

PubChem CID	7984
CAS	109-29-5
Molecular Weight (g/mol)	254.41
MDL Number	MFCD00039668
SMILES	O=C1CCCCCCCCCCCCCCCO1
Synonym	16-hexadecanolide,hexadecanolide,cyclohexadecanolide,16-hexadecanolactone,1,16-hexadecanolide,dihydroambrettolide,juniperic acid lactone,1,16-hexadecanolactone,hexadecanolactone,16-hydroxyhexadecanoic acid lactone
InChI Key	LOKPJYNMYCVCRM-UHFFFAOYSA-N
Molecular Formula	C16H30O2

3,973

2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 320423-50-5 Molecular Formula: C9H13N3OS Molecular Weight (g/mol): 211.283 MDL Number: MFCD01568852 InChI Key: TUJAFVJUJXMFEG-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-yl-1,3-thiazole-5-carbaldehyde,2-4-methylpiperazino-1,3-thiazole-5-carbaldehyde,2-4-methylpiperazin-1-yl thiazole-5-carbaldehyde,2-4-methyl-1-piperazinyl thiazole-5-carboxaldehyde,2-4-methylpiperazin-1-yl thiazole-5-carboxaldehyde,2-4-methylpiperazinyl-1,3-thiazole-5-carbaldehyde,acmc-20aoov,methylpiperazinothiazolecarbaldehyde PubChem CID: 1490234 IUPAC Name: 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde SMILES: CN1CCN(CC1)C2=NC=C(S2)C=O

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Specifications

PubChem CID	1490234
CAS	320423-50-5
Molecular Weight (g/mol)	211.283
MDL Number	MFCD01568852
SMILES	CN1CCN(CC1)C2=NC=C(S2)C=O
Synonym	2-4-methylpiperazin-1-yl-1,3-thiazole-5-carbaldehyde,2-4-methylpiperazino-1,3-thiazole-5-carbaldehyde,2-4-methylpiperazin-1-yl thiazole-5-carbaldehyde,2-4-methyl-1-piperazinyl thiazole-5-carboxaldehyde,2-4-methylpiperazin-1-yl thiazole-5-carboxaldehyde,2-4-methylpiperazinyl-1,3-thiazole-5-carbaldehyde,acmc-20aoov,methylpiperazinothiazolecarbaldehyde
IUPAC Name	2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI Key	TUJAFVJUJXMFEG-UHFFFAOYSA-N
Molecular Formula	C9H13N3OS

3,974

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3-Cyano-4-iodopyridine, 97%

CAS: 490039-72-0 Molecular Formula: C₆H₃IN₂ Molecular Weight (g/mol): 230.01 InChI Key: CJKHIIQONPNAIP-UHFFFAOYSA-N Synonym: 3-cyano-4-iodopyridine,4-iodonicotinonitrile,3-pyridinecarbonitrile,4-iodo,acmc-20aibr,4-iodo-nicotinonitrile,4-iodo-3-pyridinecarbonitrile,4-iodanylpyridine-3-carbonitrile PubChem CID: 11138941 IUPAC Name: 4-iodopyridine-3-carbonitrile SMILES: C1=CN=CC(=C1I)C#N

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Specifications

PubChem CID	11138941
CAS	490039-72-0
Molecular Weight (g/mol)	230.01
SMILES	C1=CN=CC(=C1I)C#N
Synonym	3-cyano-4-iodopyridine,4-iodonicotinonitrile,3-pyridinecarbonitrile,4-iodo,acmc-20aibr,4-iodo-nicotinonitrile,4-iodo-3-pyridinecarbonitrile,4-iodanylpyridine-3-carbonitrile
IUPAC Name	4-iodopyridine-3-carbonitrile
InChI Key	CJKHIIQONPNAIP-UHFFFAOYSA-N
Molecular Formula	C₆H₃IN₂

3,975

3-(1h-1,2,4-Triazol-1-yl)aniline, 90%, Thermo Scientific™

CAS: 176032-78-3 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 InChI Key: QOHJDIAWBVPZFL-UHFFFAOYSA-N PubChem CID: 23503656 IUPAC Name: 3-(1,2,4-triazol-1-yl)aniline SMILES: C1=CC(=CC(=C1)N)N2C=NC=N2

Pricing & Availability
Specifications

PubChem CID	23503656
CAS	176032-78-3
Molecular Weight (g/mol)	160.18
SMILES	C1=CC(=CC(=C1)N)N2C=NC=N2
IUPAC Name	3-(1,2,4-triazol-1-yl)aniline
InChI Key	QOHJDIAWBVPZFL-UHFFFAOYSA-N
Molecular Formula	C8H8N4

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