| CAS Number | 56739-17-4 |
| Catalog Number | AG019W3P(AGN-PC-04PGP4) |
| Chemical Name | 2-Chloro-n-(prop-2-yn-1-yl)pyridine-3-carboxamide |
| IUPAC Name | 2-chloro-N-prop-2-ynylpyridine-3-carboxamide |
| InChI | InChI=1S/C9H7ClN2O/c1-2-5-12-9(13)7-4-3-6-11-8(7)10/h1,3-4,6H,5H2,(H,12,13) |
| InChI Key | SHSJBBTYPAPJQA-UHFFFAOYSA-N |
| MDL Number | MFCD09933597 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | O=C(C1=CC=CN=C1Cl)NCC#C |
| Synonyms | 2-chloro-N-(prop-2-yn-1-yl)pyridine-3-carboxamide,
56739-17-4,
AC1Q3HJ3,
SCHEMBL11788023,
CTK1F3955,
DTXSID00640788,
SHSJBBTYPAPJQA-UHFFFAOYSA-N,
ZINC19438292,
AKOS000174884,
2-Chloro-N-(prop-2-ynyl)nicotinamide,
MCULE-6419308933,
NE25041,
2-Chloro-N-(prop-2-yn-1-yl)nicotinamide,
EN300-50409,
3-Pyridinecarboxamide, 2-chloro-N-2-propynyl-,
2-chloro-N-prop-2-ynylpyridine-3-carboxamide,
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| 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
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Certificate of Analysis
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