| CAS Number | 3303-18-2 |
| Catalog Number | AG01ABV3(AGN-PC-0WOB2K) |
| Chemical Name | 3-Acetamidopyridine-2-carboxylic acid |
| IUPAC Name | 3-acetamidopyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H8N2O3/c1-5(11)10-6-3-2-4-9-7(6)8(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChI Key | AEEOHJDEILSIJN-UHFFFAOYSA-N |
| MDL Number | MFCD18259084 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | CC(NC1=C(C(O)=O)N=CC=C1)=O |
| Synonyms | 3-acetamidopyridine-2-carboxylic acid,
3-Acetamidopicolinic acid,
3303-18-2,
SCHEMBL3573826,
ZINC95829351,
AKOS026338102,
MCULE-3149748082,
NE56329,
Z1815155460,
N/A,
|
| 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 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number