3-Ethyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4(1H)-one
Basic information
- CAS
59757-43-6- Standard SMILES
CCc1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O- InChIKey
FYKWBGLIFZIRGF-UHFFFAOYSA-N- Molecular formula
- C15H14F3NO
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.10274856
Names & identifiers
- Preferred name
- 3-Ethyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4(1H)-one
- IUPAC
- 3-ethyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
Names & synonyms
3-Ethyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4(1H)-one59757-43-6SCHEMBL11434867DTXSID80512196FYKWBGLIFZIRGF-UHFFFAOYSA-N
Database identifiers
- CAS
59757-43-6- PubChem CID
- 12879321
- DTXSID
DTXSID80512196
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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