| CAS Number | 926247-69-0 |
| Catalog Number | AG019KJC |
| Chemical Name | 5-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H8F3N3O2/c1-6-8(10(18)19)5-16-17(6)9-3-2-7(4-15-9)11(12,13)14/h2-5H,1H3,(H,18,19) |
| InChI Key | QWUOVGDXFAZAAB-UHFFFAOYSA-N |
| MDL Number | MFCD09040533 |
| Molecular Formula | C11H8F3N3O2 |
| Molecular Weight | 271.1953 |
| SMILES | CC1N(C2=NC=C(C(F)(F)F)C=C2)N=CC=1C(O)=O |
| Synonyms | 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylic acid,
926247-69-0,
AC1Q2EUU,
SCHEMBL15167512,
CTK7J0641,
QWUOVGDXFAZAAB-UHFFFAOYSA-N,
ZINC12505390,
AKOS000127165,
MCULE-4326688289,
NE45633,
EN300-27168,
Z235345359,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.199g/mol |
| Monoisotopic Mass | 271.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number