| CAS Number | 1203544-08-4 |
| Catalog Number | AG01DV2C |
| Chemical Name | 2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-4-carboxylic acid |
| IUPAC Name | 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)4-12-2-1-5(7(14)15)3-6(12)13/h1-3H,4H2,(H,14,15) |
| InChI Key | BSWZBVHNXSQHSU-UHFFFAOYSA-N |
| MDL Number | MFCD24326445 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.1333 |
| SMILES | O=C1N(C=CC(=C1)C(=O)O)CC(F)(F)F |
| Synonyms | 2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-4-carboxylic acid,
1203544-08-4,
SCHEMBL13522480,
ZINC98214107,
AKOS021221581,
KS-7846,
SB21238,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.135g/mol |
| Monoisotopic Mass | 221.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number