| CAS Number | 1156914-62-3 |
| Catalog Number | AG01A8KV |
| Chemical Name | 2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine |
| IUPAC Name | 2-pyrazol-1-yl-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C9H6F3N3/c10-9(11,12)7-2-3-8(13-6-7)15-5-1-4-14-15/h1-6H |
| InChI Key | CSMJMKMKDZKFQA-UHFFFAOYSA-N |
| MDL Number | MFCD12192636 |
| Molecular Formula | C9H6F3N3 |
| Molecular Weight | 213.1592 |
| SMILES | FC(C1=CN=C(N2N=CC=C2)C=C1)(F)F |
| Synonyms | 2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine,
1156914-62-3,
AC1Q4JDY,
SCHEMBL19954279,
ZINC35728274,
AKOS009581506,
NE18459,
EN300-61865,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.163g/mol |
| Monoisotopic Mass | 213.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number