| CAS Number | 1256824-41-5 |
| Catalog Number | AG009FAZ(AGN-PC-0WAKUR) |
| Chemical Name | 6-(Difluoromethyl)-2-pyridinecarboxylic Acid |
| IUPAC Name | 6-(difluoromethyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H5F2NO2/c8-6(9)4-2-1-3-5(10-4)7(11)12/h1-3,6H,(H,11,12) |
| InChI Key | CQOXJYFTHXMTNS-UHFFFAOYSA-N |
| MDL Number | MFCD18256208 |
| Molecular Formula | C7H5F2NO2 |
| Molecular Weight | 173.1169 |
| SMILES | FC(F)C1=CC=CC(C(O)=O)=N1 |
| Synonyms | 1256824-41-5,
6-(DIFLUOROMETHYL)PICOLINIC ACID,
6-(difluoromethyl)-2-pyridinecarboxylic acid,
6-(DIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID,
SCHEMBL6122425,
CQOXJYFTHXMTNS-UHFFFAOYSA-N,
MFCD18256208,
ZINC95763670,
AKOS024056088,
AB74740,
2-(Difluoromethyl)pyridine-6-carboxylic acid,
2-Pyridinecarboxylic acid, 6-(difluoromethyl)-,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.119g/mol |
| Monoisotopic Mass | 173.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number