| CAS Number | 1250672-75-3 |
| Catalog Number | AG019U5Z(AGN-PC-0WO1OW) |
| Chemical Name | 3-Amino-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one |
| IUPAC Name | 3-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one |
| InChI | InChI=1S/C7H7F3N2O/c8-7(9,10)4-12-3-1-2-5(11)6(12)13/h1-3H,4,11H2 |
| InChI Key | BYGRUUJKXBHKIK-UHFFFAOYSA-N |
| MDL Number | MFCD16679763 |
| Molecular Formula | C7H7F3N2O |
| Molecular Weight | 192.1385 |
| SMILES | NC1C(=O)N(CC(F)(F)F)C=CC=1 |
| Synonyms | 3-amino-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridin-2-one,
1250672-75-3,
3-Amino-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one,
SCHEMBL13075504,
ZINC50445497,
AKOS011380894,
KS-7809,
MCULE-5524218843,
NE19958,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.141g/mol |
| Monoisotopic Mass | 192.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number