| CAS Number | 170464-32-1 |
| Catalog Number | AG01AAMP(AGN-PC-0044AD) |
| Chemical Name | 6-(Methylcarbamoyl)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(methylcarbamoyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H8N2O3/c1-9-7(11)6-3-2-5(4-10-6)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13) |
| InChI Key | BQQJATHOMQIZIW-UHFFFAOYSA-N |
| MDL Number | MFCD12172533 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | CNC(=O)C1=NC=C(C=C1)C(=O)O |
| Synonyms | 6-(methylcarbamoyl)pyridine-3-carboxylic acid,
170464-32-1,
AC1Q40LR,
SCHEMBL2113530,
BQQJATHOMQIZIW-UHFFFAOYSA-N,
ZINC34494119,
AKOS009301932,
MCULE-1312759506,
NE38907,
NCGC00328576-01,
EN300-69027,
AB00807118-03,
3-Pyridinecarboxylic acid, 6-[(methylamino)carbonyl]-,
6-[(methylamino)-carbonyl]-3-pyridinecarboxylic acid,
Z370745496,
6-(Methylcarbamoyl)nicotinic acid,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.163g/mol |
| Monoisotopic Mass | 180.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number