| CAS Number | 1087800-63-2 |
| Catalog Number | AG019QXZ(AGN-PC-0WO6SR) |
| Chemical Name | 3-Amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2-one |
| InChI | InChI=1S/C8H9F3N2O/c1-2-13-6(8(9,10)11)4-3-5(12)7(13)14/h3-4H,2,12H2,1H3 |
| InChI Key | RITSFVJFPNZMEP-UHFFFAOYSA-N |
| MDL Number | MFCD11099995 |
| Molecular Formula | C8H9F3N2O |
| Molecular Weight | 206.1651 |
| SMILES | CCN1C(=O)C(N)=CC=C1C(F)(F)F |
| Synonyms | 3-amino-1-ethyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one,
1087800-63-2,
3-amino-1-ethyl-6-(trifluoromethyl)pyridin-2(1H)-one,
EN300-88600,
AC1Q2ZQ1,
SCHEMBL17494897,
CTK6E8997,
ZINC32629172,
AKOS023166508,
FCH1323289,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.168g/mol |
| Monoisotopic Mass | 206.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number