| CAS Number | 1211515-30-8 |
| Catalog Number | AG01BEEL(AGN-PC-0WCSUG) |
| Chemical Name | 3-amino-5-(trifluoromethyl)pyridine-2-carbonitrile |
| IUPAC Name | 3-amino-5-(trifluoromethyl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C7H4F3N3/c8-7(9,10)4-1-5(12)6(2-11)13-3-4/h1,3H,12H2 |
| InChI Key | UXJIIIGYZOHJGY-UHFFFAOYSA-N |
| MDL Number | MFCD14702316 |
| Molecular Formula | C7H4F3N3 |
| Molecular Weight | 187.1220 |
| SMILES | NC=1C(=NC=C(C1)C(F)(F)F)C#N |
| Synonyms | 1211515-30-8,
3-Amino-5-(trifluoromethyl)picolinonitrile,
3-amino-2-cyano-5-(trifluoromethyl)pyridine,
3-amino-5-(trifluoromethyl)pyridine-2-carbonitrile,
SCHEMBL16666241,
UXJIIIGYZOHJGY-UHFFFAOYSA-N,
ZINC47212309,
AKOS027350628,
3-amino-2-cyano-5-trifluoromethylpyridine,
2-Pyridinecarbonitrile, 3-amino-5-(trifluoromethyl)-,
Z2739025479,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.125g/mol |
| Monoisotopic Mass | 187.036g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number