| CAS Number | 1416713-79-5 |
| Catalog Number | AG009ETM(AGN-PC-0WR0RJ) |
| Chemical Name | 2-chloro-5-(trifluoromethyl)isonicotinamide |
| IUPAC Name | 2-chloro-5-(trifluoromethyl)pyridine-4-carboxamide |
| InChI | InChI=1S/C7H4ClF3N2O/c8-5-1-3(6(12)14)4(2-13-5)7(9,10)11/h1-2H,(H2,12,14) |
| InChI Key | KSSQGKGRHRTCDB-UHFFFAOYSA-N |
| MDL Number | MFCD22684693 |
| Molecular Formula | C7H4ClF3N2O |
| Molecular Weight | 224.5677 |
| SMILES | Clc1ncc(c(c1)C(=O)N)C(F)(F)F |
| Synonyms | 1416713-79-5,
2-Chloro-5-(trifluoromethyl)pyridine-4-carboxamide,
2-Chloro-5-(trifluoromethyl)isonicotinamide,
MFCD22684693,
ZINC95616372,
C-0331,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.567g/mol |
| Monoisotopic Mass | 223.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number