| CAS Number | 1341770-86-2 |
| Catalog Number | AG01DVAT |
| Chemical Name | 5-propanamidopyridine-3-carboxylic acid |
| IUPAC Name | 5-(propanoylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H10N2O3/c1-2-8(12)11-7-3-6(9(13)14)4-10-5-7/h3-5H,2H2,1H3,(H,11,12)(H,13,14) |
| InChI Key | KVFWYHRKHHXKTK-UHFFFAOYSA-N |
| MDL Number | MFCD18276344 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | CCC(NC1=CC(C(O)=O)=CN=C1)=O |
| Synonyms | 5-propanamidopyridine-3-carboxylic acid,
1341770-86-2,
AKOS012455186,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 3 |
| 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