| CAS Number | 1227599-92-9 |
| Catalog Number | AG009YAL(AGN-PC-0WCSXO) |
| Chemical Name | 4-Bromo-5-(trifluoromethyl)pyridin-2-amine |
| IUPAC Name | 4-bromo-5-(trifluoromethyl)pyridin-2-amine |
| InChI | InChI=1S/C6H4BrF3N2/c7-4-1-5(11)12-2-3(4)6(8,9)10/h1-2H,(H2,11,12) |
| InChI Key | KBRBWYOANHJCTI-UHFFFAOYSA-N |
| MDL Number | MFCD16606114 |
| Molecular Formula | C6H4BrF3N2 |
| Molecular Weight | 241.0086 |
| SMILES | NC1=NC=C(C(F)(F)F)C(Br)=C1 |
| Synonyms | 1227599-92-9,
4-Bromo-5-(trifluoromethyl)pyridin-2-amine,
2-amino-4-bromo-5-(trifluoromethyl)pyridine,
SCHEMBL20772327,
ZINC238596571,
FT-0770068,
2-Pyridinamine, 4-bromo-5-(trifluoromethyl)-,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.011g/mol |
| Monoisotopic Mass | 239.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number