2-Chloro-1-(6-fluoropyridin-2-yl)ethan-1-one
Basic information
- CAS
949154-23-8- Standard SMILES
O=C(CCl)c1cccc(F)n1- InChIKey
VLGJJJCIOWMUQD-UHFFFAOYSA-N- Molecular formula
- C7H5ClFNO
- Average molar mass
- 173.57 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-1-(6-fluoropyridin-2-yl)ethan-1-one
- IUPAC
- 2-chloro-1-(6-fluoro-2-pyridinyl)ethanone
- English name
- Ethanone, 2-chloro-1-(6-fluoro-2-pyridinyl)-
- Molecular formula
- C7H5ClFNO
- Molecular weight
- 173.57
Names & synonyms
949154-23-82-Chloro-1-(6-fluoropyridin-2-yl)ethan-1-one2-Chloro-1-(6-fluoro-2-pyridyl)ethanoneSCHEMBL3958154VLGJJJCIOWMUQD-UHFFFAOYSA-NMFCD18837700SY311268DB-1493682-Chloro-1-(6-fluoro-2-pyridinyl)ethanone2-Chloro-1-(6-fluoro-pyridin-2-yl)-ethanoneF705932-CHLORO-1-(6-FLUORO-2-PYRIDINYL)-ETHANONE
Show more names
Ethanone, 2-chloro-1-(6-fluoro-2-pyridinyl)-
Database identifiers
- CAS
949154-23-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 262.2 · 262.2±25.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- -0.86 · -0.86±0.10(Predicted)
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Compound notes
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