| CAS Number | 1281936-66-0 |
| Catalog Number | AG01BGR8 |
| Chemical Name | methyl 3-[2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]propanoate |
| IUPAC Name | methyl 3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanoate |
| InChI | InChI=1S/C10H10F3NO3/c1-17-9(16)4-5-14-6-7(10(11,12)13)2-3-8(14)15/h2-3,6H,4-5H2,1H3 |
| InChI Key | VPCZQFAIFRDULS-UHFFFAOYSA-N |
| MDL Number | MFCD19444739 |
| Molecular Formula | C10H10F3NO3 |
| Molecular Weight | 249.1865 |
| SMILES | COC(CCN1C(=O)C=CC(C(F)(F)F)=C1)=O |
| Synonyms | methyl 3-[2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]propanoate,
1281936-66-0,
ZINC70138098,
AKOS009029033,
Z104363980,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.189g/mol |
| Monoisotopic Mass | 249.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number