| CAS Number | 1017047-71-0 |
| Catalog Number | AG019VBS(AGN-PC-0WO59K) |
| Chemical Name | 6-Chloro-n-(prop-2-yn-1-yl)pyridine-3-carboxamide |
| IUPAC Name | 6-chloro-N-prop-2-ynylpyridine-3-carboxamide |
| InChI | InChI=1S/C9H7ClN2O/c1-2-5-11-9(13)7-3-4-8(10)12-6-7/h1,3-4,6H,5H2,(H,11,13) |
| InChI Key | OHMQLPULHGQFHQ-UHFFFAOYSA-N |
| MDL Number | MFCD09944097 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | O=C(C1=CC=C(Cl)N=C1)NCC#C |
| Synonyms | 6-chloro-N-(prop-2-yn-1-yl)pyridine-3-carboxamide,
1017047-71-0,
AC1Q3KSZ,
SCHEMBL17670950,
CTK5J0783,
MFCD09944097,
ZINC19504163,
AKOS000185465,
MCULE-5724608539,
NE28685,
EN300-44829,
|
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number