| CAS Number | 859538-41-3 |
| Catalog Number | AG00H2KG(AGN-PC-0WAKU5) |
| Chemical Name | 5-(Difluoromethyl)picolinic acid |
| IUPAC Name | 5-(difluoromethyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H5F2NO2/c8-6(9)4-1-2-5(7(11)12)10-3-4/h1-3,6H,(H,11,12) |
| InChI Key | MKLFNFRBDNMKIU-UHFFFAOYSA-N |
| MDL Number | MFCD18256209 |
| Molecular Formula | C7H5F2NO2 |
| Molecular Weight | 173.1169 |
| SMILES | O=C(O)C1=NC=C(C(F)F)C=C1 |
| Synonyms | 859538-41-3,
5-(Difluoromethyl)picolinic acid,
5-(DIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID,
2-Pyridinecarboxylic acid, 5-(difluoromethyl)-,
SCHEMBL1585123,
MKLFNFRBDNMKIU-UHFFFAOYSA-N,
MFCD18256209,
ZINC59770365,
AKOS017344924,
AB74743,
PS-11624,
5-difluoromethyl-pyridine-2-carboxylic acid,
CS-0060449,
5-?(difluoromethyl)?-2-?Pyridinecarboxylic acid,
5-(difluoromethyl)-2-Pyridinecarboxylic acid,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number