| CAS Number | 1378340-42-1 |
| Catalog Number | AG01AFMT |
| Chemical Name | 2-(trifluoromethyl)pyrimidine-5-carboxamide |
| IUPAC Name | 2-(trifluoromethyl)pyrimidine-5-carboxamide |
| InChI | InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13) |
| InChI Key | OKRNBFHZDGTDRX-UHFFFAOYSA-N |
| MDL Number | MFCD18905731 |
| Molecular Formula | C6H4F3N3O |
| Molecular Weight | 191.1107 |
| SMILES | NC(C1=CN=C(C(F)(F)F)N=C1)=O |
| Synonyms | 2-(trifluoromethyl)pyrimidine-5-carboxamide,
1378340-42-1,
SCHEMBL2871260,
ZINC75847370,
AKOS023098468,
NE60814,
Z1745658474,
N/A,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.113g/mol |
| Monoisotopic Mass | 191.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number