| CAS Number | 98534-86-2 |
| Catalog Number | AG019MFY(AGN-PC-01648P) |
| Chemical Name | 1-(pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H6F3N3O2/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) |
| InChI Key | ZQXVRORVHVWEMM-UHFFFAOYSA-N |
| MDL Number | MFCD09734489 |
| Molecular Formula | C10H6F3N3O2 |
| Molecular Weight | 257.1687 |
| SMILES | 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,
98534-86-2,
1-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid,
AC1Q72CU,
SCHEMBL1335647,
CTK7J0636,
ZQXVRORVHVWEMM-UHFFFAOYSA-N,
ZINC11568366,
AKOS000145116,
MCULE-3571691672,
NE59491,
EN300-36069,
I14-15521,
Z367678496,
1-(2-Pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.172g/mol |
| Monoisotopic Mass | 257.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number