| CAS Number | 86873-62-3 |
| Catalog Number | AG008EKM(AGN-PC-0WO94K) |
| Chemical Name | 2-Pyridinecarboxylic acid, 5-(acetylamino)- |
| IUPAC Name | 5-acetamidopyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H8N2O3/c1-5(11)10-6-2-3-7(8(12)13)9-4-6/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChI Key | WPZGIHCOKAJSHJ-UHFFFAOYSA-N |
| MDL Number | MFCD15475043 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | O=C(C1=NC=C(NC(C)=O)C=C1)O |
| Synonyms | 5-acetamidopyridine-2-carboxylic acid,
86873-62-3,
2-Pyridinecarboxylic acid, 5-(acetylamino)-,
5-acetamidopicolinic acid,
pyridine deriv. 26,
AC1NQSL4,
BDBM4731,
CHEMBL243143,
SCHEMBL3621493,
CTK3C6306,
DTXSID70415046,
ZINC14944675,
AKOS015966519,
NE43032,
5-(acetylamino)pyridine-2-carboxylic acid,
5-Acetylaminopyridine-2-carboxylic acid, sodium salt,
AIDS280166,
CID5278292,
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| 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 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number