Cas no 1126794-84-0 (6-cyano-3-Pyridinecarboxylic acid methyl ester hydrochloride)
1126794-84-0 structure
Product Name:6-cyano-3-Pyridinecarboxylic acid methyl ester hydrochloride
CAS No:1126794-84-0
MF:C8H7ClN2O2
MW:198.606380701065
CID:1099346
PubChem ID:66819461
Update Time:2025-04-20
6-cyano-3-Pyridinecarboxylic acid methyl ester hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 6-cyano-3-Pyridinecarboxylic acid methyl ester hydrochloride
- methyl 6-cyanonicotinate hydrochloride
- 1126794-84-0
- SCHEMBL853571
-
- Inchi： 1S/C8H6N2O2.ClH/c1-12-8(11)6-2-3-7(4-9)10-5-6;/h2-3,5H,1H3;1H
- InChI Key： CNWQSNMICDMILP-UHFFFAOYSA-N
- SMILES： Cl.O(C)C(C1C=NC(C#N)=CC=1)=O
Computed Properties
- Exact Mass: 198.0196052g/mol
- Monoisotopic Mass: 198.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 218
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63?2
6-cyano-3-Pyridinecarboxylic acid methyl ester hydrochloride Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
1126794-84-0 (6-cyano-3-Pyridinecarboxylic acid methyl ester hydrochloride) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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