| CAS Number | 1260666-45-2 |
| Catalog Number | AG00A2AZ(AGN-PC-0WCL9B) |
| Chemical Name | 3-AMINO-6-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID |
| IUPAC Name | 3-amino-6-(trifluoromethyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(11)5(12-4)6(13)14/h1-2H,11H2,(H,13,14) |
| InChI Key | JCWQZRKHKSPYSI-UHFFFAOYSA-N |
| MDL Number | MFCD11848217 |
| Molecular Formula | C7H5F3N2O2 |
| Molecular Weight | 206.1220 |
| SMILES | NC1=C(C(O)=O)N=C(C(F)(F)F)C=C1 |
| Synonyms | 1260666-45-2,
3-Amino-6-(trifluoromethyl)picolinic acid,
3-AMINO-6-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID,
SCHEMBL20660831,
3-AMINO-6-TRIFLUOROMETHYL-PYRIDINE-2-CARBOXYLIC ACID,
MFCD11848217,
ZINC95761018,
AKOS027201281,
AB64796,
SC-29964,
3-Amino-6-(trifluoromethyl)pyridine-2-carboxyic acid,
Z2346401046,
3-Amino-6-trifluoromethyl-pyridine-2-carboxylic ac,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.124g/mol |
| Monoisotopic Mass | 206.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number