| CAS Number | 585544-22-5 |
| Catalog Number | AG00ELEL(AGN-PC-0MS28Q) |
| Chemical Name | 6-chloro-N-cyclopropylpyridine-3-carboxamide |
| IUPAC Name | 6-chloro-N-cyclopropylpyridine-3-carboxamide |
| InChI | InChI=1S/C9H9ClN2O/c10-8-4-1-6(5-11-8)9(13)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13) |
| InChI Key | PMSOZHXVTCVGRS-UHFFFAOYSA-N |
| MDL Number | MFCD08444345 |
| Molecular Formula | C9H9ClN2O |
| Molecular Weight | 196.6336 |
| SMILES | O=C(NC1CC1)C2=CN=C(Cl)C=C2 |
| Synonyms | 6-chloro-N-cyclopropylnicotinamide,
585544-22-5,
6-Chloro-N-cyclopropylpyridine-3-carboxamide,
AC1Q3KSY,
SCHEMBL1116580,
CTK6H1325,
DTXSID30429447,
ZINC8324066,
MFCD08444345,
AKOS000200515,
AS06185,
CM13848,
MCULE-5414493473,
AJ-57442,
CS-0062176,
EN300-25366,
3-Pyridinecarboxamide, 6-chloro-N-cyclopropyl-,
F1905-0043,
ZINC08324066,
CID9449822,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.634g/mol |
| Monoisotopic Mass | 196.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number