| CAS Number | 1416713-20-6 |
| Catalog Number | AG009F64(AGN-PC-0WNXGV) |
| Chemical Name | 3-(Trifluoromethyl)Isonicotinamide |
| IUPAC Name | 3-(trifluoromethyl)pyridine-4-carboxamide |
| InChI | InChI=1S/C7H5F3N2O/c8-7(9,10)5-3-12-2-1-4(5)6(11)13/h1-3H,(H2,11,13) |
| InChI Key | GZQWHSYPQHQEHH-UHFFFAOYSA-N |
| MDL Number | MFCD22684694 |
| Molecular Formula | C7H5F3N2O |
| Molecular Weight | 190.1226 |
| SMILES | C1=CN=CC(=C1C(=O)N)C(F)(F)F |
| Synonyms | 1416713-20-6,
3-(Trifluoromethyl)isonicotinamide,
3-(trifluoromethyl)pyridine-4-carboxamide,
SCHEMBL4043333,
MFCD22684694,
ZINC95616373,
C-0550,
3-(trifluoromethyl)pyridine-4-carboxamide, 95% - 1G 1g,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.125g/mol |
| Monoisotopic Mass | 190.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number