| CAS Number | 57724-90-0 |
| Catalog Number | AG01EHBN(AGN-PC-0JWJ4X) |
| Chemical Name | 6-Chloro-N-isopropylpyridine-3-carboxamide |
| IUPAC Name | 6-chloro-N-propan-2-ylpyridine-3-carboxamide |
| InChI | InChI=1S/C9H11ClN2O/c1-6(2)12-9(13)7-3-4-8(10)11-5-7/h3-6H,1-2H3,(H,12,13) |
| InChI Key | RALGDACVBSBFMU-UHFFFAOYSA-N |
| MDL Number | MFCD00661418 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | CC(NC(C1=CN=C(Cl)C=C1)=O)C |
| Synonyms | 6-chloro-N-isopropylnicotinamide,
57724-90-0,
6-CHLORO-N-ISOPROPYLPYRIDINE-3-CARBOXAMIDE,
AC1LGD9S,
SCHEMBL6870509,
CTK6A9895,
RALGDACVBSBFMU-UHFFFAOYSA-N,
ZINC334971,
SBB092386,
AKOS000154157,
6-chloro-N-propan-2-ylpyridine-3-carboxamide,
(6-chloro(3-pyridyl))-N-(methylethyl)carboxamide,
6-chloro-n-(1-methylethyl)pyridine-3-carboxamide,
AJ-333/25006220,
6-Chloro-N-isopropyl-nicotinamide,
CID819369,
ZINC00334971,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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