| CAS Number | 131418-12-7 |
| Catalog Number | AG01BRIF(AGN-PC-003T7P) |
| Chemical Name | 2-Chloro-N-(prop-2-YN-1-YL)pyridine-4-carboxamide |
| IUPAC Name | 2-chloro-N-prop-2-ynylpyridine-4-carboxamide |
| InChI | InChI=1S/C9H7ClN2O/c1-2-4-12-9(13)7-3-5-11-8(10)6-7/h1,3,5-6H,4H2,(H,12,13) |
| InChI Key | JLLBOQOLGHGVQD-UHFFFAOYSA-N |
| MDL Number | MFCD11128668 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | ClC1=NC=CC(C(NCC#C)=O)=C1 |
| Synonyms | 2-CHLORO-N-(PROP-2-YN-1-YL)PYRIDINE-4-CARBOXAMIDE,
131418-12-7,
SCHEMBL10339452,
ZINC19813777,
AKOS000205663,
2-Chloro-N-(2-propynyl)isonicotinamide,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number