| CAS Number | 1341455-73-9 |
| Catalog Number | AG01BIYP |
| Chemical Name | 2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)4-12-3-1-2-5(6(12)13)7(14)15/h1-3H,4H2,(H,14,15) |
| InChI Key | YPYGBJOFNDFVDU-UHFFFAOYSA-N |
| MDL Number | MFCD19611413 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.1333 |
| SMILES | OC(C1C(=O)N(CC(F)(F)F)C=CC=1)=O |
| Synonyms | 2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxylic acid,
1341455-73-9,
ZINC68955028,
AKOS013252725,
KS-7815,
FT-0722880,
F1908-2949,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number