3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester
Basic information
- CAS
117517-54-1- Standard SMILES
COC(=O)c1ccc(C(N)=O)nc1- InChIKey
XIWOJXMQJJGUDQ-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl ester
- IUPAC
- methyl 6-carbamoylpyridine-3-carboxylate
Names & synonyms
Methyl 6-carbamoylnicotinate117517-54-13-Pyridinecarboxylic acid, 6-(aminocarbonyl)-, methyl estermethyl 6-carbamoylpyridine-3-carboxylateMFCD18074165NSC351303SCHEMBL5717551DTXSID80319844SEA51754AKOS028111006AB10288NSC-351303
Show more names
SY456684DB-101386CS-0347312Z287485568
Database identifiers
- CAS
117517-54-1- PubChem CID
- 336550
- DTXSID
DTXSID80319844- Nikkaji
- J1.485.117H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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