| CAS Number | 1245915-01-8 |
| Catalog Number | AG01B719 |
| Chemical Name | 5-Bromo-6-(trifluoromethyl)pyridine-3-carbonitrile |
| IUPAC Name | 5-bromo-6-(trifluoromethyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C7H2BrF3N2/c8-5-1-4(2-12)3-13-6(5)7(9,10)11/h1,3H |
| InChI Key | CFRQHYMMUIEQFK-UHFFFAOYSA-N |
| MDL Number | MFCD18255226 |
| Molecular Formula | C7H2BrF3N2 |
| Molecular Weight | 251.0034 |
| SMILES | BrC=1C=C(C=NC1C(F)(F)F)C#N |
| Synonyms | 5-bromo-6-(trifluoromethyl)pyridine-3-carbonitrile,
1245915-01-8,
ZINC238582003,
5-Bromo-6-(trifluoromethyl)nicotinonitrile,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.006g/mol |
| Monoisotopic Mass | 249.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number