Organoheterocyclic compounds
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4,5-Dibromo-2-phenyl-2,3-dihydropyridazin-3-one, 97%, Thermo Scientific™
CAS: 14305-08-9 Molecular Formula: C10H6Br2N2O Molecular Weight (g/mol): 329.979 MDL Number: MFCD00052907 InChI Key: NQJXEMRMTOSSBQ-UHFFFAOYSA-N Synonym: 4,5-dibromo-2-phenylpyridazin-3 2h-one,4,5-dibromo-2-phenyl-2,3-dihydropyridazin-3-one,4,5-dibromo-2-phenyl-3 2h-pyridazinone,3 2h-pyridazinone, 4,5-dibromo-2-phenyl,4,5-dibromo-2-phenyl-3-pyridazinone,4,5-dibromo-2-phenyl-pyridazin-3-one,2-phenyl-4,5-dibromo-3 2h-pyridazinone,3 2h-pyridazinone,4,5-dibromo-2-phenyl,4,5-bis bromanyl-2-phenyl-pyridazin-3-one,4,5-dibromo-2-phenyl-2-hydropyridazin-3-one PubChem CID: 203396 IUPAC Name: 4,5-dibromo-2-phenylpyridazin-3-one SMILES: C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br
| PubChem CID | 203396 |
|---|---|
| CAS | 14305-08-9 |
| Molecular Weight (g/mol) | 329.979 |
| MDL Number | MFCD00052907 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br |
| Synonym | 4,5-dibromo-2-phenylpyridazin-3 2h-one,4,5-dibromo-2-phenyl-2,3-dihydropyridazin-3-one,4,5-dibromo-2-phenyl-3 2h-pyridazinone,3 2h-pyridazinone, 4,5-dibromo-2-phenyl,4,5-dibromo-2-phenyl-3-pyridazinone,4,5-dibromo-2-phenyl-pyridazin-3-one,2-phenyl-4,5-dibromo-3 2h-pyridazinone,3 2h-pyridazinone,4,5-dibromo-2-phenyl,4,5-bis bromanyl-2-phenyl-pyridazin-3-one,4,5-dibromo-2-phenyl-2-hydropyridazin-3-one |
| IUPAC Name | 4,5-dibromo-2-phenylpyridazin-3-one |
| InChI Key | NQJXEMRMTOSSBQ-UHFFFAOYSA-N |
| Molecular Formula | C10H6Br2N2O |
3-Indolylacetonitrile, 97%
CAS: 771-51-7 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00005628 InChI Key: DMCPFOBLJMLSNX-UHFFFAOYSA-N Synonym: 3-indoleacetonitrile,indole-3-acetonitrile,3-indolylacetonitrile,2-1h-indol-3-yl acetonitrile,1h-indole-3-acetonitrile,indolylacetonitrile,3-cyanomethyl indole,indoleacetonitrile,indolylacetonitril,3-indolacetonitrile PubChem CID: 351795 ChEBI: CHEBI:17566 IUPAC Name: 2-(1H-indol-3-yl)acetonitrile SMILES: C1=CC=C2C(=C1)C(=CN2)CC#N
| PubChem CID | 351795 |
|---|---|
| CAS | 771-51-7 |
| Molecular Weight (g/mol) | 156.19 |
| ChEBI | CHEBI:17566 |
| MDL Number | MFCD00005628 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC#N |
| Synonym | 3-indoleacetonitrile,indole-3-acetonitrile,3-indolylacetonitrile,2-1h-indol-3-yl acetonitrile,1h-indole-3-acetonitrile,indolylacetonitrile,3-cyanomethyl indole,indoleacetonitrile,indolylacetonitril,3-indolacetonitrile |
| IUPAC Name | 2-(1H-indol-3-yl)acetonitrile |
| InChI Key | DMCPFOBLJMLSNX-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2 |
1-Cyano-4-(dimethylamino)pyridinium tetrafluoroborate, 98%
CAS: 59016-56-7 Molecular Formula: C8H10BF4N3 Molecular Weight (g/mol): 234.99 MDL Number: MFCD00011998 InChI Key: MBLVMDCQDCVKNE-UHFFFAOYSA-N Synonym: cdap,1-cyano-4-dimethylamino pyridinium tetrafluoroborate,1-cyano-4-dimethylamino pyridin-1-ium tetrafluoroborate,unii-p4w72066jt,1-cyano-4-dimethylamino-pyridinium tetrafluoroborate,pubchem17735,acmc-209m9a,n-cyano-4-dimethylaminopyridinium tetrafluoroborate,1-cyano-4-dimethylaminopyridinium tetra-fluoroborate,n-cyano-4-dimethylamino-pyridinium tetrafluoroborate PubChem CID: 9881151 IUPAC Name: 4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N
| PubChem CID | 9881151 |
|---|---|
| CAS | 59016-56-7 |
| Molecular Weight (g/mol) | 234.99 |
| MDL Number | MFCD00011998 |
| SMILES | F[B-](F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N |
| Synonym | cdap,1-cyano-4-dimethylamino pyridinium tetrafluoroborate,1-cyano-4-dimethylamino pyridin-1-ium tetrafluoroborate,unii-p4w72066jt,1-cyano-4-dimethylamino-pyridinium tetrafluoroborate,pubchem17735,acmc-209m9a,n-cyano-4-dimethylaminopyridinium tetrafluoroborate,1-cyano-4-dimethylaminopyridinium tetra-fluoroborate,n-cyano-4-dimethylamino-pyridinium tetrafluoroborate |
| IUPAC Name | 4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate |
| InChI Key | MBLVMDCQDCVKNE-UHFFFAOYSA-N |
| Molecular Formula | C8H10BF4N3 |
1-(4-Pyridyl)piperazine, 97%
CAS: 1008-91-9 Molecular Formula: C9H13N3 Molecular Weight (g/mol): 163.224 MDL Number: MFCD00040745 InChI Key: OQZBAQXTXNIPRA-UHFFFAOYSA-N Synonym: 1-4-pyridyl piperazine,1-pyridin-4-yl piperazine,1-pyridin-4-yl-piperazine,4-piperazinopyridine,4-pyridylpiperazine,1-4-pyridyl-piperazine,4-1-piperazino pyridine,1-4-pyridinyl piperazine,piperazine, 1-4-pyridinyl PubChem CID: 70517 IUPAC Name: 1-pyridin-4-ylpiperazine SMILES: C1CN(CCN1)C2=CC=NC=C2
| PubChem CID | 70517 |
|---|---|
| CAS | 1008-91-9 |
| Molecular Weight (g/mol) | 163.224 |
| MDL Number | MFCD00040745 |
| SMILES | C1CN(CCN1)C2=CC=NC=C2 |
| Synonym | 1-4-pyridyl piperazine,1-pyridin-4-yl piperazine,1-pyridin-4-yl-piperazine,4-piperazinopyridine,4-pyridylpiperazine,1-4-pyridyl-piperazine,4-1-piperazino pyridine,1-4-pyridinyl piperazine,piperazine, 1-4-pyridinyl |
| IUPAC Name | 1-pyridin-4-ylpiperazine |
| InChI Key | OQZBAQXTXNIPRA-UHFFFAOYSA-N |
| Molecular Formula | C9H13N3 |
1-Allylpiperazine, 98+%
CAS: 13961-36-9 Molecular Formula: C7H14N2 Molecular Weight (g/mol): 126.203 MDL Number: MFCD00167970 InChI Key: ZWAQJGHGPPDZSF-UHFFFAOYSA-N Synonym: 1-allylpiperazine,1-allyl-piperazine,1-allyl piperazine,1-prop-2-en-1-yl piperazine,n-allyl piperazine,piperazine,1-2-propen-1-yl,prop-2-enylpiperazine,allylpiperazin,allylpiperazine,1-allylpiperazin PubChem CID: 806422 IUPAC Name: 1-prop-2-enylpiperazine SMILES: C=CCN1CCNCC1
| PubChem CID | 806422 |
|---|---|
| CAS | 13961-36-9 |
| Molecular Weight (g/mol) | 126.203 |
| MDL Number | MFCD00167970 |
| SMILES | C=CCN1CCNCC1 |
| Synonym | 1-allylpiperazine,1-allyl-piperazine,1-allyl piperazine,1-prop-2-en-1-yl piperazine,n-allyl piperazine,piperazine,1-2-propen-1-yl,prop-2-enylpiperazine,allylpiperazin,allylpiperazine,1-allylpiperazin |
| IUPAC Name | 1-prop-2-enylpiperazine |
| InChI Key | ZWAQJGHGPPDZSF-UHFFFAOYSA-N |
| Molecular Formula | C7H14N2 |
Benzo[b]thiophene-2-carboxaldehyde, 97%
CAS: 3541-37-5 Molecular Formula: C9H6OS Molecular Weight (g/mol): 162.21 MDL Number: MFCD01075041 InChI Key: NXSVNPSWARVMAY-UHFFFAOYSA-N Synonym: benzo b thiophene-2-carboxaldehyde,benzo b thiophene-2-carbaldehyde,thianaphthene-2-carboxaldehyde,benzothiophene-2-carboxaldehyde,acmc-209igo,2-formylbenzo b thiophene,2-benzothiophenecarbaldehyde,2-formyl-benzo b thiophene,benzothiophene-2-carbaldehyde,2-benzothiophenecarboxaldehyde PubChem CID: 736500 IUPAC Name: 1-benzothiophene-2-carbaldehyde SMILES: O=CC1=CC2=CC=CC=C2S1
| PubChem CID | 736500 |
|---|---|
| CAS | 3541-37-5 |
| Molecular Weight (g/mol) | 162.21 |
| MDL Number | MFCD01075041 |
| SMILES | O=CC1=CC2=CC=CC=C2S1 |
| Synonym | benzo b thiophene-2-carboxaldehyde,benzo b thiophene-2-carbaldehyde,thianaphthene-2-carboxaldehyde,benzothiophene-2-carboxaldehyde,acmc-209igo,2-formylbenzo b thiophene,2-benzothiophenecarbaldehyde,2-formyl-benzo b thiophene,benzothiophene-2-carbaldehyde,2-benzothiophenecarboxaldehyde |
| IUPAC Name | 1-benzothiophene-2-carbaldehyde |
| InChI Key | NXSVNPSWARVMAY-UHFFFAOYSA-N |
| Molecular Formula | C9H6OS |
6-Chloropyridine-2-carboxylic acid, 98%, Thermo Scientific Chemicals
CAS: 4684-94-0 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD00155390 InChI Key: ZLKMOIHCHCMSFW-UHFFFAOYSA-N Synonym: 6-chloropicolinic acid,2-chloro-6-pyridinecarboxylic acid,6-chloro-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 6-chloro,2-chloropyridine-6-carboxylic acid,6-chloro-2-picolinic acid,6-cpa,picolinic acid, 6-chloro,6-chloro-2-carboxy-pyridine,caswell no. 214b PubChem CID: 20812 IUPAC Name: 6-chloropyridine-2-carboxylic acid SMILES: C1=CC(=NC(=C1)Cl)C(=O)O
| PubChem CID | 20812 |
|---|---|
| CAS | 4684-94-0 |
| Molecular Weight (g/mol) | 157.553 |
| MDL Number | MFCD00155390 |
| SMILES | C1=CC(=NC(=C1)Cl)C(=O)O |
| Synonym | 6-chloropicolinic acid,2-chloro-6-pyridinecarboxylic acid,6-chloro-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 6-chloro,2-chloropyridine-6-carboxylic acid,6-chloro-2-picolinic acid,6-cpa,picolinic acid, 6-chloro,6-chloro-2-carboxy-pyridine,caswell no. 214b |
| IUPAC Name | 6-chloropyridine-2-carboxylic acid |
| InChI Key | ZLKMOIHCHCMSFW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO2 |
3-Amino-2-nitropyridine, 97%, Thermo Scientific Chemicals
CAS: 13269-19-7 Molecular Formula: C5H5N3O2 Molecular Weight (g/mol): 139.114 MDL Number: MFCD00044102 InChI Key: GZBKVUGZEAJYHH-UHFFFAOYSA-N Synonym: 3-amino-2-nitropyridine,2-nitro-3-pyridinamine,2-nitro-3-aminopyridine,3-pyridinamine, 2-nitro,2-nitropyridin-3-amin,aminonitropyridine,amino nitro pyridine,pubchem2087,acmc-209bps,2-nitro-3-pyridylamine PubChem CID: 83281 IUPAC Name: 2-nitropyridin-3-amine SMILES: C1=CC(=C(N=C1)[N+](=O)[O-])N
| PubChem CID | 83281 |
|---|---|
| CAS | 13269-19-7 |
| Molecular Weight (g/mol) | 139.114 |
| MDL Number | MFCD00044102 |
| SMILES | C1=CC(=C(N=C1)[N+](=O)[O-])N |
| Synonym | 3-amino-2-nitropyridine,2-nitro-3-pyridinamine,2-nitro-3-aminopyridine,3-pyridinamine, 2-nitro,2-nitropyridin-3-amin,aminonitropyridine,amino nitro pyridine,pubchem2087,acmc-209bps,2-nitro-3-pyridylamine |
| IUPAC Name | 2-nitropyridin-3-amine |
| InChI Key | GZBKVUGZEAJYHH-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3O2 |
Ethyl 7-methoxybenzo[b]furan-2-carboxylate, 97%
CAS: 50551-58-1 Molecular Formula: C12H12O4 Molecular Weight (g/mol): 220.22 MDL Number: MFCD00060510 InChI Key: SXCMZYVXJUJIDJ-UHFFFAOYSA-N PubChem CID: 521284 IUPAC Name: ethyl 7-methoxy-1-benzofuran-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC(OC)=C2O1
| PubChem CID | 521284 |
|---|---|
| CAS | 50551-58-1 |
| Molecular Weight (g/mol) | 220.22 |
| MDL Number | MFCD00060510 |
| SMILES | CCOC(=O)C1=CC2=CC=CC(OC)=C2O1 |
| IUPAC Name | ethyl 7-methoxy-1-benzofuran-2-carboxylate |
| InChI Key | SXCMZYVXJUJIDJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12O4 |
(2,4-Diphenyl-1,3-thiazol-5-yl)methanol, ≥97%, Thermo Scientific™
CAS: 864068-86-0 Molecular Formula: C16H13NOS Molecular Weight (g/mol): 267.35 MDL Number: MFCD08060522 InChI Key: IVIJHUHOSCRMNY-UHFFFAOYSA-N Synonym: 2,4-diphenyl-1,3-thiazol-5-yl methanol,diphenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2,4-diphenyl,2,4-diphenylthiazol-5-yl methanol PubChem CID: 7537555 IUPAC Name: (2,4-diphenyl-1,3-thiazol-5-yl)methanol SMILES: OCC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7537555 |
|---|---|
| CAS | 864068-86-0 |
| Molecular Weight (g/mol) | 267.35 |
| MDL Number | MFCD08060522 |
| SMILES | OCC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,4-diphenyl-1,3-thiazol-5-yl methanol,diphenyl-1,3-thiazol-5-yl methanol,5-thiazolemethanol,2,4-diphenyl,2,4-diphenylthiazol-5-yl methanol |
| IUPAC Name | (2,4-diphenyl-1,3-thiazol-5-yl)methanol |
| InChI Key | IVIJHUHOSCRMNY-UHFFFAOYSA-N |
| Molecular Formula | C16H13NOS |
2,4-Diphenyl-1,3-thiazole-5-carbaldehyde, ≥95%, Thermo Scientific™
CAS: 864068-85-9 Molecular Formula: C16H11NOS Molecular Weight (g/mol): 265.33 MDL Number: MFCD08060521 InChI Key: QCAWTHNKWALNJR-UHFFFAOYSA-N Synonym: 2,4-diphenylthiazole-5-carbaldehyde,5-thiazolecarboxaldehyde,2,4-diphenyl PubChem CID: 7537553 IUPAC Name: 2,4-diphenyl-1,3-thiazole-5-carbaldehyde SMILES: O=CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7537553 |
|---|---|
| CAS | 864068-85-9 |
| Molecular Weight (g/mol) | 265.33 |
| MDL Number | MFCD08060521 |
| SMILES | O=CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,4-diphenylthiazole-5-carbaldehyde,5-thiazolecarboxaldehyde,2,4-diphenyl |
| IUPAC Name | 2,4-diphenyl-1,3-thiazole-5-carbaldehyde |
| InChI Key | QCAWTHNKWALNJR-UHFFFAOYSA-N |
| Molecular Formula | C16H11NOS |
4-(piperidin-1-ylmethyl)benzaldehyde, 95%, Thermo Scientific™
CAS: 471929-86-9 Molecular Formula: C13H17NO Molecular Weight (g/mol): 203.285 InChI Key: WWBOSCKXPMBVLG-UHFFFAOYSA-N PubChem CID: 7164649 IUPAC Name: 4-(piperidin-1-ylmethyl)benzaldehyde SMILES: C1CCN(CC1)CC2=CC=C(C=C2)C=O
| PubChem CID | 7164649 |
|---|---|
| CAS | 471929-86-9 |
| Molecular Weight (g/mol) | 203.285 |
| SMILES | C1CCN(CC1)CC2=CC=C(C=C2)C=O |
| IUPAC Name | 4-(piperidin-1-ylmethyl)benzaldehyde |
| InChI Key | WWBOSCKXPMBVLG-UHFFFAOYSA-N |
| Molecular Formula | C13H17NO |
2-pyrrolidin-1-ylaniline, Thermo Scientific™
CAS: 21627-58-7 Molecular Formula: C10H14N2 Molecular Weight (g/mol): 162.236 InChI Key: BFPUBGCFJMIZDF-UHFFFAOYSA-N Synonym: 2-pyrrolidin-1-yl aniline,2-pyrrolidinoaniline,2-pyrrolidin-1-yl-phenylamine,2-pyrrolidinylphenylamine,2-pyrrolizinoaniline,acmc-209fmh,2-pyrrolidin-1-ylphenylamine,1-2-aminophenyl pyrrolidine,2-pyrrolidin-1-ylphenyl amine,2-1-pyrrolidinyl-benzenamine PubChem CID: 937501 IUPAC Name: 2-pyrrolidin-1-ylaniline SMILES: C1CCN(C1)C2=CC=CC=C2N
| PubChem CID | 937501 |
|---|---|
| CAS | 21627-58-7 |
| Molecular Weight (g/mol) | 162.236 |
| SMILES | C1CCN(C1)C2=CC=CC=C2N |
| Synonym | 2-pyrrolidin-1-yl aniline,2-pyrrolidinoaniline,2-pyrrolidin-1-yl-phenylamine,2-pyrrolidinylphenylamine,2-pyrrolizinoaniline,acmc-209fmh,2-pyrrolidin-1-ylphenylamine,1-2-aminophenyl pyrrolidine,2-pyrrolidin-1-ylphenyl amine,2-1-pyrrolidinyl-benzenamine |
| IUPAC Name | 2-pyrrolidin-1-ylaniline |
| InChI Key | BFPUBGCFJMIZDF-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2 |
2-Methyl-2H-indazole-3-carbaldehyde, 97%, Thermo Scientific™
CAS: 34252-54-5 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00839530 InChI Key: SMWLSZQHLMZHHV-UHFFFAOYSA-N Synonym: 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl PubChem CID: 818117 IUPAC Name: 2-methylindazole-3-carbaldehyde SMILES: CN1N=C2C=CC=CC2=C1C=O
| PubChem CID | 818117 |
|---|---|
| CAS | 34252-54-5 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD00839530 |
| SMILES | CN1N=C2C=CC=CC2=C1C=O |
| Synonym | 2-methyl-2h-indazole-3-carbaldehyde,2-methyl-3-formylindazole,2h-indazole-3-carboxaldehyde,2-methyl |
| IUPAC Name | 2-methylindazole-3-carbaldehyde |
| InChI Key | SMWLSZQHLMZHHV-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
4-(piperidinomethyl)benzoic acid, 97%, Thermo Scientific™
CAS: 159691-33-5 Molecular Formula: C13H17NO2 Molecular Weight (g/mol): 219.284 InChI Key: RNCCMTVMMFUIKR-UHFFFAOYSA-N Synonym: 4-piperidin-1-ylmethyl benzoic acid,4-piperidin-1-ylmethyl-benzoic acid,benzoic acid,4-1-piperidinylmethyl,4-piperidylmethyl benzoic acid,4-piperidinomethyl benzoic acid,4-piperidin-1-yl methyl benzoic acid PubChem CID: 1092975 IUPAC Name: 4-(piperidin-1-ylmethyl)benzoic acid SMILES: C1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
| PubChem CID | 1092975 |
|---|---|
| CAS | 159691-33-5 |
| Molecular Weight (g/mol) | 219.284 |
| SMILES | C1CCN(CC1)CC2=CC=C(C=C2)C(=O)O |
| Synonym | 4-piperidin-1-ylmethyl benzoic acid,4-piperidin-1-ylmethyl-benzoic acid,benzoic acid,4-1-piperidinylmethyl,4-piperidylmethyl benzoic acid,4-piperidinomethyl benzoic acid,4-piperidin-1-yl methyl benzoic acid |
| IUPAC Name | 4-(piperidin-1-ylmethyl)benzoic acid |
| InChI Key | RNCCMTVMMFUIKR-UHFFFAOYSA-N |
| Molecular Formula | C13H17NO2 |