| CAS Number | 2031268-82-1 |
| Catalog Number | AG01B774 |
| Chemical Name | 1-(Pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H6F3N3O2.ClH/c11-10(12,13)8-6(9(17)18)5-15-16(8)7-3-1-2-4-14-7;/h1-5H,(H,17,18);1H |
| InChI Key | UAVCMEYXLBCROK-UHFFFAOYSA-N |
| MDL Number | MFCD30345166 |
| Molecular Formula | C10H7ClF3N3O2 |
| Molecular Weight | 293.6297 |
| SMILES | Cl.OC(C1=C(C(F)(F)F)N(C2=NC=CC=C2)N=C1)=O |
| Synonyms | 1-(pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid hydrochloride,
2031268-82-1,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.63g/mol |
| Monoisotopic Mass | 293.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number