| CAS Number | 1279208-48-8 |
| Catalog Number | AG01FLZ0(AGN-PC-0WCOEM) |
| Chemical Name | 2-(Methylcarbamoyl)isonicotinic acid |
| IUPAC Name | 2-(methylcarbamoyl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H8N2O3/c1-9-7(11)6-4-5(8(12)13)2-3-10-6/h2-4H,1H3,(H,9,11)(H,12,13) |
| InChI Key | PVIZBGMQZAJNIH-UHFFFAOYSA-N |
| MDL Number | MFCD18785155 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | CNC(=O)C1C=C(C(O)=O)C=CN=1 |
| Synonyms | 2-(methylcarbamoyl)isonicotinic acid,
1279208-48-8,
SCHEMBL19439262,
ZINC62720048,
AKOS024628056,
MCULE-8762149005,
F2193-0014,
2-(methylcarbamoyl)pyridine-4-carboxylic 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