| CAS Number | 1247060-64-5 |
| Catalog Number | AG019ZRW(AGN-PC-0WO94S) |
| Chemical Name | 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
| IUPAC Name | 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C8H5F2N3O2/c9-6(10)7-12-11-5-2-1-4(8(14)15)3-13(5)7/h1-3,6H,(H,14,15) |
| InChI Key | CMRYYTDJRPPXJO-UHFFFAOYSA-N |
| MDL Number | MFCD16744438 |
| Molecular Formula | C8H5F2N3O2 |
| Molecular Weight | 213.1410 |
| SMILES | OC(C1=CN2C(=NN=C2C(F)F)C=C1)=O |
| Synonyms | 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid,
1247060-64-5,
ZINC52125355,
AKOS011675493,
MCULE-4098438938,
NE49998,
RP26743,
Z1416200983,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.144g/mol |
| Monoisotopic Mass | 213.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number