1-(2-Methylpropyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
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Basic information
- CAS
338964-50-4- Standard SMILES
CC(C)Cn1cc(-c2cccc(C(F)(F)F)c2)cc(C#N)c1=O- InChIKey
IHDJGAWOJRDIOI-UHFFFAOYSA-N- Molecular formula
- C17H15F3N2O
- Average molar mass
- 320.31 g/mol
Names & identifiers
- Preferred name
- 1-(2-Methylpropyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
- IUPAC
- 1-(2-methylpropyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
- English name
- 1-Isobutyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
- Molecular formula
- C17H15F3N2O
- Molecular weight
- 320.31
Names & synonyms
338964-50-41-(2-methylpropyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile1-(2-methylpropyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carbonitrile1-isobutyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrileAKOS0050972536J-551S3-Pyridinecarbonitrile, 1,2-dihydro-1-(2-methylpropyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
338964-50-4
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 422.6 · 422.6±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -4.93 · -4.93±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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