| CAS Number | 1227514-27-3 |
| Catalog Number | AG019DO4(AGN-PC-0WBQYM) |
| Chemical Name | 2-Amino-3-fluoro-4-(trifluoromethyl)pyridine |
| IUPAC Name | 3-fluoro-4-(trifluoromethyl)pyridin-2-amine |
| InChI | InChI=1S/C6H4F4N2/c7-4-3(6(8,9)10)1-2-12-5(4)11/h1-2H,(H2,11,12) |
| InChI Key | KNEFTHGYNUOCEH-UHFFFAOYSA-N |
| MDL Number | MFCD16606170 |
| Molecular Formula | C6H4F4N2 |
| Molecular Weight | 180.1030 |
| SMILES | FC(C1=C(F)C(N)=NC=C1)(F)F |
| Synonyms | 1227514-27-3,
2-amino-3-fluoro-4-(trifluoromethyl)pyridine,
3-fluoro-4-(trifluoromethyl)pyridin-2-amine,
2556AD,
BBL102670,
MFCD16606170,
STL556474,
ZINC95215937,
AKOS005258776,
AK519121,
DS-19082,
Z-2430,
C6H4F4N2,
ACN-055603,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.106g/mol |
| Monoisotopic Mass | 180.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number