| CAS Number | 1245915-92-7 |
| Catalog Number | AG01FM0M(AGN-PC-3H5M5E) |
| Chemical Name | 5-methyl-2-(trifluoromethyl)nicotinic acid |
| IUPAC Name | 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H6F3NO2/c1-4-2-5(7(13)14)6(12-3-4)8(9,10)11/h2-3H,1H3,(H,13,14) |
| InChI Key | CYWVURUPVFCNBP-UHFFFAOYSA-N |
| MDL Number | MFCD18254607 |
| Molecular Formula | C8H6F3NO2 |
| Molecular Weight | 205.1339 |
| SMILES | CC=1C=NC(=C(C(=O)O)C1)C(F)(F)F |
| Synonyms | ZINC74204271,
AKOS026715470,
5-methyl-2-(trifluoromethyl)nicotinic acid,
F2147-1262,
3-Pyridinecarboxylic acid, 5-methyl-2-(trifluoromethyl)-,
1245915-92-7,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.035063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.13g/mol |
| Monoisotopic Mass | 205.035063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number