1-(2,5-Dimethyl-3-pyridinyl)ethanone
Basic information
- CAS
31931-68-7- Standard SMILES
CC(=O)c1cc(C)cnc1C- InChIKey
PBBXMEACWXXOIZ-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
Names & identifiers
- Preferred name
- 1-(2,5-Dimethyl-3-pyridinyl)ethanone
- IUPAC
- 1-(2,5-dimethyl-3-pyridinyl)ethanone
- English name
- Ketone, 2,5-dimethyl-3-pyridyl methyl (8CI)
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
31931-68-71-(2,5-Dimethyl-3-pyridinyl)ethanone1-(2,5-dimethylpyridin-3-yl)ethan-1-one1-(2,5-DIMETHYLPYRIDIN-3-YL)ETHANONEKetone, 2,5-dimethyl-3-pyridyl methyl (8CI)SCHEMBL6626587AB82541DB-287838KETONE, 2,5-DIMETHYL-3-PYRIDYL METHYLEthanone, 1-(2,5-dimethyl-3-pyridinyl)-
Database identifiers
- CAS
31931-68-7- Nikkaji
- J2.646.511G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 254.2 · 254.2±35.0 °C(Predicted)
- Density
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- pka
- 4.45 · 4.45±0.20(Predicted)
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Compound notes
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