| CAS Number | 54864-85-6 |
| Catalog Number | AG00DAVV(AGN-PC-02MR47) |
| Chemical Name | 6-chloro-N-propylpyridine-3-carboxamide |
| IUPAC Name | 6-chloro-N-propylpyridine-3-carboxamide |
| InChI | InChI=1S/C9H11ClN2O/c1-2-5-11-9(13)7-3-4-8(10)12-6-7/h3-4,6H,2,5H2,1H3,(H,11,13) |
| InChI Key | CFWYGEMTTSEELO-UHFFFAOYSA-N |
| MDL Number | MFCD08691892 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | C1(=CC=C(N=C1)Cl)C(NCCC)=O |
| Synonyms | 6-CHLORO-N-PROPYLNICOTINAMIDE,
54864-85-6,
6-chloro-N-propylpyridine-3-carboxamide,
AC1Q2Y0O,
SCHEMBL3407381,
CTK5A2683,
DTXSID90602633,
CHEMBRDG-BB 9070662,
MFCD08691892,
ZINC16576866,
AKOS000152731,
MCULE-7122269596,
NCGC00326027-01,
AJ-68926,
6-Chloro-N-propylnicotinamide, AldrichCPR,
FT-0708580,
EN300-50996,
Y-4530,
AB01321267-02,
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| Complexity | 175 |
| 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 | 3 |
| 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