| CAS Number | 24242-18-0 |
| Catalog Number | AG01A7IZ(AGN-PC-0KK1ON) |
| Chemical Name | 5-carbamoylpyridine-2-carboxylic acid |
| IUPAC Name | 5-carbamoylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H6N2O3/c8-6(10)4-1-2-5(7(11)12)9-3-4/h1-3H,(H2,8,10)(H,11,12) |
| InChI Key | KGBSMDOELQXOBN-UHFFFAOYSA-N |
| MDL Number | MFCD04111156 |
| Molecular Formula | C7H6N2O3 |
| Molecular Weight | 166.1341 |
| SMILES | NC(C1=CN=C(C(O)=O)C=C1)=O |
| Synonyms | 5-carbamoylpyridine-2-carboxylic Acid,
24242-18-0,
AC1MBJOW,
AC1Q4ZFN,
2-Pyridinecarboxylicacid,5-(aminocarbonyl)-,
SCHEMBL1978610,
CTK7D2692,
ZINC1042836,
AKOS008132007,
MCULE-6235237840,
NE26937,
EN300-58880,
2-Pyridinecarboxylic acid, 5-(aminocarbonyl)-,
CID2726657,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.136g/mol |
| Monoisotopic Mass | 166.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number