Organoheterocyclic compounds
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(-)-Cinchonidine, 99% (total base), may cont. up to 5% quinine
CAS: 485-71-2 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00006783 InChI Key: KMPWYEUPVWOPIM-UHFFFAOYNA-N Synonym: cinchonidine PubChem CID: 45358337 SMILES: OC(C1CC2CCN1CC2C=C)C1=C2C=CC=CC2=NC=C1
| PubChem CID | 45358337 |
|---|---|
| CAS | 485-71-2 |
| Molecular Weight (g/mol) | 294.40 |
| MDL Number | MFCD00006783 |
| SMILES | OC(C1CC2CCN1CC2C=C)C1=C2C=CC=CC2=NC=C1 |
| Synonym | cinchonidine |
| InChI Key | KMPWYEUPVWOPIM-UHFFFAOYNA-N |
| Molecular Formula | C19H22N2O |
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
| 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 |
4-Trifluoromethyl-2(1H)-quinolinone, 97%, Thermo Scientific Chemicals
CAS: 25199-84-2 Molecular Formula: C10H6F3NO Molecular Weight (g/mol): 213.159 MDL Number: MFCD03407380 InChI Key: UUROBWTVZZNDFD-UHFFFAOYSA-N Synonym: 2-hydroxy-4-trifluoromethyl quinoline,4-trifluoromethyl quinolin-2-ol,4-trifluoromethyl-2 1h-quinolinone,4-trifluoromethyl-1h-quinolin-2-one,2 1h-quinolinone, 4-trifluoromethyl,4-trifluoromethyl quinolin-2 1h-one,pubchem5867,ksc495g1t,4-trifluoromethylquinolin-2-one,4-trifluoromethyl-quinolin-2-ol PubChem CID: 2759347 IUPAC Name: 4-(trifluoromethyl)-1H-quinolin-2-one SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)C(F)(F)F
| PubChem CID | 2759347 |
|---|---|
| CAS | 25199-84-2 |
| Molecular Weight (g/mol) | 213.159 |
| MDL Number | MFCD03407380 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)N2)C(F)(F)F |
| Synonym | 2-hydroxy-4-trifluoromethyl quinoline,4-trifluoromethyl quinolin-2-ol,4-trifluoromethyl-2 1h-quinolinone,4-trifluoromethyl-1h-quinolin-2-one,2 1h-quinolinone, 4-trifluoromethyl,4-trifluoromethyl quinolin-2 1h-one,pubchem5867,ksc495g1t,4-trifluoromethylquinolin-2-one,4-trifluoromethyl-quinolin-2-ol |
| IUPAC Name | 4-(trifluoromethyl)-1H-quinolin-2-one |
| InChI Key | UUROBWTVZZNDFD-UHFFFAOYSA-N |
| Molecular Formula | C10H6F3NO |
Pyrimidine-5-carboxylic acid, 95%
CAS: 4595-61-3 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00856162 InChI Key: IIVUJUOJERNGQX-UHFFFAOYSA-N Synonym: 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid PubChem CID: 78346 IUPAC Name: pyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=CN=C1
| PubChem CID | 78346 |
|---|---|
| CAS | 4595-61-3 |
| Molecular Weight (g/mol) | 124.10 |
| MDL Number | MFCD00856162 |
| SMILES | OC(=O)C1=CN=CN=C1 |
| Synonym | 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid |
| IUPAC Name | pyrimidine-5-carboxylic acid |
| InChI Key | IIVUJUOJERNGQX-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O2 |
5-Chloromethyl-2-(1H-pyrazol-1-yl)pyridine, 97%, Thermo Scientific Chemicals
CAS: 748796-39-6 Molecular Formula: C9H8ClN3 Molecular Weight (g/mol): 193.634 MDL Number: MFCD06658399 InChI Key: QVDLCABKNWXXQF-UHFFFAOYSA-N PubChem CID: 16655946 IUPAC Name: 5-(chloromethyl)-2-pyrazol-1-ylpyridine SMILES: C1=CN(N=C1)C2=NC=C(C=C2)CCl
| PubChem CID | 16655946 |
|---|---|
| CAS | 748796-39-6 |
| Molecular Weight (g/mol) | 193.634 |
| MDL Number | MFCD06658399 |
| SMILES | C1=CN(N=C1)C2=NC=C(C=C2)CCl |
| IUPAC Name | 5-(chloromethyl)-2-pyrazol-1-ylpyridine |
| InChI Key | QVDLCABKNWXXQF-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClN3 |
2,3-Diamino-6-chloropyridine, 95%
CAS: 40851-95-4 Molecular Formula: C5H6ClN3 Molecular Weight (g/mol): 143.57 MDL Number: MFCD00209966 InChI Key: QEIRYIILFUVXAM-UHFFFAOYSA-N Synonym: 2,3-diamino-6-chloropyridine,6-chloro-2,3-diaminopyridine,2,3-pyridinediamine,6-chloro,2,3-pyridinediamine, 6-chloro,6-chloro-pyridine-2,3-diamine,6-chloro-2,3-pyridinediamine,pubchem19958,6-chloro 2,3-pyridindiamine,2,3-diamino-6-chloro-pyridine PubChem CID: 10630615 IUPAC Name: 6-chloropyridine-2,3-diamine SMILES: NC1=C(N)N=C(Cl)C=C1
| PubChem CID | 10630615 |
|---|---|
| CAS | 40851-95-4 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD00209966 |
| SMILES | NC1=C(N)N=C(Cl)C=C1 |
| Synonym | 2,3-diamino-6-chloropyridine,6-chloro-2,3-diaminopyridine,2,3-pyridinediamine,6-chloro,2,3-pyridinediamine, 6-chloro,6-chloro-pyridine-2,3-diamine,6-chloro-2,3-pyridinediamine,pubchem19958,6-chloro 2,3-pyridindiamine,2,3-diamino-6-chloro-pyridine |
| IUPAC Name | 6-chloropyridine-2,3-diamine |
| InChI Key | QEIRYIILFUVXAM-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN3 |
3-Cyano-4-methoxy-2-pyridone, 95%, Thermo Scientific Chemicals
CAS: 21642-98-8 Molecular Formula: C7H6N2O2 Molecular Weight (g/mol): 150.14 MDL Number: MFCD00975442 InChI Key: MWGIDWPSRDMIQN-UHFFFAOYSA-N Synonym: 4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile,4-methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile,3-cyano-2-hydroxy-4-methoxypyridine,4-methoxy-2-oxo-1,2-dihydro-3-pyridinecarbonitrile,2-hydroxy-4-methoxynicotinonitrile,1,2-dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile,3-pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo,3-cyano-4-methoxy-2 1h-pyridinone,2-hydroxy-4-methoxy-nicotinonitrile,3-cyano-4-methoxy-2-1h-pyridinone PubChem CID: 2786702 SMILES: COC1=C(C#N)C(=O)NC=C1
| PubChem CID | 2786702 |
|---|---|
| CAS | 21642-98-8 |
| Molecular Weight (g/mol) | 150.14 |
| MDL Number | MFCD00975442 |
| SMILES | COC1=C(C#N)C(=O)NC=C1 |
| Synonym | 4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile,4-methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile,3-cyano-2-hydroxy-4-methoxypyridine,4-methoxy-2-oxo-1,2-dihydro-3-pyridinecarbonitrile,2-hydroxy-4-methoxynicotinonitrile,1,2-dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile,3-pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo,3-cyano-4-methoxy-2 1h-pyridinone,2-hydroxy-4-methoxy-nicotinonitrile,3-cyano-4-methoxy-2-1h-pyridinone |
| InChI Key | MWGIDWPSRDMIQN-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O2 |
2-Cyano-6-methylpyridine, 98%
CAS: 1620-75-3 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00190586 InChI Key: CMADFEQMYFNYCF-UHFFFAOYSA-N Synonym: 6-methylpicolinonitrile,2-cyano-6-methylpyridine,6-methyl-2-pyridinecarbonitrile,2-methyl-6-cyanopyridine,6-methyl-pyridine-2-carbonitrile,2-pyridinecarbonitrile, 6-methyl,6-methyl-2-cyanopyridine,2-cyano-6-methyl pyridine,2-cyano-6-methylpyridine 2-cyano-6-picoline,6-methylpyridin-2-carbonitril PubChem CID: 74182 IUPAC Name: 6-methylpyridine-2-carbonitrile SMILES: CC1=CC=CC(=N1)C#N
| PubChem CID | 74182 |
|---|---|
| CAS | 1620-75-3 |
| Molecular Weight (g/mol) | 118.14 |
| MDL Number | MFCD00190586 |
| SMILES | CC1=CC=CC(=N1)C#N |
| Synonym | 6-methylpicolinonitrile,2-cyano-6-methylpyridine,6-methyl-2-pyridinecarbonitrile,2-methyl-6-cyanopyridine,6-methyl-pyridine-2-carbonitrile,2-pyridinecarbonitrile, 6-methyl,6-methyl-2-cyanopyridine,2-cyano-6-methyl pyridine,2-cyano-6-methylpyridine 2-cyano-6-picoline,6-methylpyridin-2-carbonitril |
| IUPAC Name | 6-methylpyridine-2-carbonitrile |
| InChI Key | CMADFEQMYFNYCF-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
2-Fluoro-5-nitropyridine, 98%
CAS: 456-24-6 Molecular Formula: C5H3FN2O2 Molecular Weight (g/mol): 142.089 MDL Number: MFCD03095059 InChI Key: XOZAJNLUAODXSP-UHFFFAOYSA-N Synonym: 6-fluoro-3-nitropyridine,pyridine, 2-fluoro-5-nitro,2-fluor-5-nitropyridin,2-fluoro-5-nitro-pyridine,abbypharma ap-15-5253,pubchem1202,acmc-1arnr,5-nitro-2-fluoropyridine,2-fluoro-5-nitro pyridine PubChem CID: 95264 IUPAC Name: 2-fluoro-5-nitropyridine SMILES: C1=CC(=NC=C1[N+](=O)[O-])F
| PubChem CID | 95264 |
|---|---|
| CAS | 456-24-6 |
| Molecular Weight (g/mol) | 142.089 |
| MDL Number | MFCD03095059 |
| SMILES | C1=CC(=NC=C1[N+](=O)[O-])F |
| Synonym | 6-fluoro-3-nitropyridine,pyridine, 2-fluoro-5-nitro,2-fluor-5-nitropyridin,2-fluoro-5-nitro-pyridine,abbypharma ap-15-5253,pubchem1202,acmc-1arnr,5-nitro-2-fluoropyridine,2-fluoro-5-nitro pyridine |
| IUPAC Name | 2-fluoro-5-nitropyridine |
| InChI Key | XOZAJNLUAODXSP-UHFFFAOYSA-N |
| Molecular Formula | C5H3FN2O2 |
2-Chloro-5-iodo-3-(trifluoromethyl)pyridine, 95%
CAS: 887707-25-7 Molecular Formula: C6H2ClF3IN Molecular Weight (g/mol): 307.44 MDL Number: MFCD12024302 InChI Key: KUASPTUGCBGXAE-UHFFFAOYSA-N Synonym: 2-chloro-5-iodo-3-trifluoromethyl pyridine,2-chloro-3-trifluoromethyl-5-iodo-pyridine,2-chloro-3-trifluoromethyl-5-iodopyridine,2-choro-5-iodo-3-trifluoromethylpyridine,2-chloro-3-trifluoromethyl-5-iodo pyridine PubChem CID: 11500513 IUPAC Name: 2-chloro-5-iodo-3-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CC(I)=CN=C1Cl
| PubChem CID | 11500513 |
|---|---|
| CAS | 887707-25-7 |
| Molecular Weight (g/mol) | 307.44 |
| MDL Number | MFCD12024302 |
| SMILES | FC(F)(F)C1=CC(I)=CN=C1Cl |
| Synonym | 2-chloro-5-iodo-3-trifluoromethyl pyridine,2-chloro-3-trifluoromethyl-5-iodo-pyridine,2-chloro-3-trifluoromethyl-5-iodopyridine,2-choro-5-iodo-3-trifluoromethylpyridine,2-chloro-3-trifluoromethyl-5-iodo pyridine |
| IUPAC Name | 2-chloro-5-iodo-3-(trifluoromethyl)pyridine |
| InChI Key | KUASPTUGCBGXAE-UHFFFAOYSA-N |
| Molecular Formula | C6H2ClF3IN |
3-(2-Aminoethyl)-5-bromoindole, 97%
CAS: 3610-42-2 Molecular Formula: C10H11BrN2 Molecular Weight (g/mol): 239.116 MDL Number: MFCD00130169 InChI Key: CGHUQJRRADEHTQ-UHFFFAOYSA-N PubChem CID: 77158 IUPAC Name: 2-(5-bromo-1H-indol-3-yl)ethanamine SMILES: C1=CC2=C(C=C1Br)C(=CN2)CCN
| PubChem CID | 77158 |
|---|---|
| CAS | 3610-42-2 |
| Molecular Weight (g/mol) | 239.116 |
| MDL Number | MFCD00130169 |
| SMILES | C1=CC2=C(C=C1Br)C(=CN2)CCN |
| IUPAC Name | 2-(5-bromo-1H-indol-3-yl)ethanamine |
| InChI Key | CGHUQJRRADEHTQ-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrN2 |
3,4-Dihydro-2H-isoquinolin-1-one, 98%
CAS: 1196-38-9 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 InChI Key: YWPMKTWUFVOFPL-UHFFFAOYSA-N Synonym: 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline PubChem CID: 150896 IUPAC Name: 3,4-dihydro-2H-isoquinolin-1-one SMILES: C1CNC(=O)C2=CC=CC=C21
| PubChem CID | 150896 |
|---|---|
| CAS | 1196-38-9 |
| Molecular Weight (g/mol) | 147.18 |
| SMILES | C1CNC(=O)C2=CC=CC=C21 |
| Synonym | 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 3,4-dihydro-2H-isoquinolin-1-one |
| InChI Key | YWPMKTWUFVOFPL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
4-Amino-6-hydroxypyrimidine, 98%, Thermo Scientific™
CAS: 1193-22-2 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.10 MDL Number: MFCD00051502 InChI Key: HFMLLTVIMFEQRE-UHFFFAOYSA-N Synonym: 4-amino-6-hydroxypyrimidine,6-aminopyrimidin-4-ol,4-hydroxy-6-aminopyrimidine,4-pyrimidinol, 6-amino,4 1h-pyrimidinone, 6-amino,6-aminopyrimidin-4 3h-one,4-oxy-6-aminopyrimidine,6-amino-4-pyrimidinol,6-amino-3h-pyrimidin-4-one,6-amino-4 1h-pyrimidinone PubChem CID: 70944 SMILES: NC1=CC(=O)N=CN1
| PubChem CID | 70944 |
|---|---|
| CAS | 1193-22-2 |
| Molecular Weight (g/mol) | 111.10 |
| MDL Number | MFCD00051502 |
| SMILES | NC1=CC(=O)N=CN1 |
| Synonym | 4-amino-6-hydroxypyrimidine,6-aminopyrimidin-4-ol,4-hydroxy-6-aminopyrimidine,4-pyrimidinol, 6-amino,4 1h-pyrimidinone, 6-amino,6-aminopyrimidin-4 3h-one,4-oxy-6-aminopyrimidine,6-amino-4-pyrimidinol,6-amino-3h-pyrimidin-4-one,6-amino-4 1h-pyrimidinone |
| InChI Key | HFMLLTVIMFEQRE-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3O |
4-Aminopyridine-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 100047-36-7 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.12 InChI Key: JRZBTJVSAANBEV-UHFFFAOYSA-N Synonym: 4-aminopicolinic acid,4-aminopyridine-2-carboxylicacid,2-pyridinecarboxylic acid, 4-amino,4-amino-2-pyridinecarboxylic acid,4-amino-pyridine-2-carboxylic acid,4-aminopicolinicacid,4-amino-picolinsaure,pubchem22241,2-carboxy-4-aminopyridine,picolinic acid, 4-amino PubChem CID: 2050132 IUPAC Name: 4-aminopyridine-2-carboxylic acid SMILES: C1=CN=C(C=C1N)C(=O)O
| PubChem CID | 2050132 |
|---|---|
| CAS | 100047-36-7 |
| Molecular Weight (g/mol) | 138.12 |
| SMILES | C1=CN=C(C=C1N)C(=O)O |
| Synonym | 4-aminopicolinic acid,4-aminopyridine-2-carboxylicacid,2-pyridinecarboxylic acid, 4-amino,4-amino-2-pyridinecarboxylic acid,4-amino-pyridine-2-carboxylic acid,4-aminopicolinicacid,4-amino-picolinsaure,pubchem22241,2-carboxy-4-aminopyridine,picolinic acid, 4-amino |
| IUPAC Name | 4-aminopyridine-2-carboxylic acid |
| InChI Key | JRZBTJVSAANBEV-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
Nalidixic acid sodium salt
CAS: 5-8-3374 Molecular Formula: C12H11N2NaO3 Molecular Weight (g/mol): 254.22 InChI Key: ROKRAUFZFDQWLE-UHFFFAOYSA-M IUPAC Name: sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate SMILES: [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12
| CAS | 5-8-3374 |
|---|---|
| Molecular Weight (g/mol) | 254.22 |
| SMILES | [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12 |
| IUPAC Name | sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate |
| InChI Key | ROKRAUFZFDQWLE-UHFFFAOYSA-M |
| Molecular Formula | C12H11N2NaO3 |