| CAS Number | 946594-89-4 |
| Catalog Number | AG01FS6I(AGN-PC-0WCL96) |
| Chemical Name | 3-Amino-6-(trifluoromethyl)picolinonitrile |
| IUPAC Name | 3-amino-6-(trifluoromethyl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C7H4F3N3/c8-7(9,10)6-2-1-4(12)5(3-11)13-6/h1-2H,12H2 |
| InChI Key | SNDIVORLLWTSEF-UHFFFAOYSA-N |
| MDL Number | MFCD18250514 |
| Molecular Formula | C7H4F3N3 |
| Molecular Weight | 187.1220 |
| SMILES | NC1=CC=C(N=C1C#N)C(F)(F)F |
| Synonyms | 3-amino-6-(trifluoromethyl)picolinonitrile,
946594-89-4,
SCHEMBL2159069,
CTK7C9179,
3-AMINO-6-(TRIFLUOROMETHYL)PYRIDINE-2-CARBONITRILE,
SNDIVORLLWTSEF-UHFFFAOYSA-N,
ZINC71864004,
AKOS015995216,
AB73145,
AK672253,
DS-20013,
5-Amino-6-cyano-2-(trifluoromethyl)pyridine,
2-Pyridinecarbonitrile, 3-amino-6-(trifluoromethyl)-,
RP24715,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.035732g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.12g/mol |
| Monoisotopic Mass | 187.035732g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number