| CAS Number | 1553950-73-4 |
| Catalog Number | AG01FR4M(AGN-PC-3H5PGH) |
| Chemical Name | 3-Amino-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one |
| IUPAC Name | 3-amino-1-methyl-5-(trifluoromethyl)pyridin-2-one |
| InChI | InChI=1S/C7H7F3N2O/c1-12-3-4(7(8,9)10)2-5(11)6(12)13/h2-3H,11H2,1H3 |
| InChI Key | VPIDLHRYZJRJQK-UHFFFAOYSA-N |
| MDL Number | MFCD26738808 |
| Molecular Formula | C7H7F3N2O |
| Molecular Weight | 192.1385 |
| SMILES | NC=1C(N(C=C(C1)C(F)(F)F)C)=O |
| Synonyms | SCHEMBL15574103,
2(1H)-Pyridinone, 3-amino-1-methyl-5-(trifluoromethyl)-,
VPIDLHRYZJRJQK-UHFFFAOYSA-N,
1553950-73-4,
3-Amino-1-methyl-5-trifluoromethyl-1H-pyridin-2-one,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.051047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.14g/mol |
| Monoisotopic Mass | 192.051047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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