| CAS Number | 1060810-79-8 |
| Catalog Number | AG008WYM(AGN-PC-0WD8G4) |
| Chemical Name | 4-Hydroxy-6-trifluoroMethyl-nicotinic acid |
| IUPAC Name | 4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H4F3NO3/c8-7(9,10)5-1-4(12)3(2-11-5)6(13)14/h1-2H,(H,11,12)(H,13,14) |
| InChI Key | QCVVDMURRBDYJA-UHFFFAOYSA-N |
| MDL Number | MFCD28138139 |
| Molecular Formula | C7H4F3NO3 |
| Molecular Weight | 207.1068 |
| SMILES | c1c(c(cnc1C(F)(F)F)C(=O)O)O |
| Synonyms | 1060810-79-8,
4-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINIC ACID,
MFCD13188821,
ZINC83286553,
AKOS030238303,
AB67197,
QC-10955,
4-Hydroxy-6-trifluoromethyl-nicotinic acid,
6-(Trifluoromethyl)-4-hydroxypyridine-3-carboxylic acid,
4-oxo-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylicacid,
6-(trifluoromethyl)-4-hydroxypyridine-3-carboxylic acid, 95% - 1G 1g,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.108g/mol |
| Monoisotopic Mass | 207.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number