| CAS Number | 1040070-36-7 |
| Catalog Number | AG01AAIM(AGN-PC-0WO9NU) |
| Chemical Name | 6-OXO-N-(PROP-2-YN-1-YL)-1,6-DIHYDROPYRIDINE-3-CARBOXAMIDE |
| IUPAC Name | 6-oxo-N-prop-2-ynyl-1H-pyridine-3-carboxamide |
| InChI | InChI=1S/C9H8N2O2/c1-2-5-10-9(13)7-3-4-8(12)11-6-7/h1,3-4,6H,5H2,(H,10,13)(H,11,12) |
| InChI Key | QAYNCAVBQFKTOO-UHFFFAOYSA-N |
| MDL Number | MFCD11174677 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | O=C(C1=CNC(=O)C=C1)NCC#C |
| Synonyms | 6-oxo-N-(prop-2-yn-1-yl)-1,6-dihydropyridine-3-carboxamide,
1040070-36-7,
EN300-68712,
AC1Q5OI5,
ZINC20302834,
AKOS008023116,
FCH5388437,
MCULE-4235006587,
NE55239,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number