Ethyl 2-{4-[5-chloro-2-(trifluoromethyl)phenyl]-2-oxopyridin-1(2H)-yl}-3-(pyridin-4-yl)propanoate
Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccncc1)n1ccc(-c2cc(Cl)ccc2C(F)(F)F)cc1=O- InChIKey
KQZXBVXYDXOCKC-UHFFFAOYSA-N- Molecular formula
- C22H18ClF3N2O3
- Average molar mass
- 450.8 g/mol
- Monoisotopic mass
- 450.0958046
Names & identifiers
- Preferred name
- Ethyl 2-{4-[5-chloro-2-(trifluoromethyl)phenyl]-2-oxopyridin-1(2H)-yl}-3-(pyridin-4-yl)propanoate
- IUPAC
- ethyl 2-[4-[5-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-pyridinyl]-3-pyridin-4-ylpropanoate
Names & synonyms
Ethyl 2-{4-[5-chloro-2-(trifluoromethyl)phenyl]-2-oxopyridin-1(2H)-yl}-3-(pyridin-4-yl)propanoateSCHEMBL16137959
Database identifiers
- PubChem CID
- 117622650
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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