Basic information
- CAS
1022154-81-9- Standard SMILES
CC(=O)c1ccc(-c2ccc(F)cn2)cn1- InChIKey
JKDROTMYJVRICY-UHFFFAOYSA-N- Molecular formula
- C12H9FN2O
- Average molar mass
- 216.21 g/mol
- Monoisotopic mass
- 216.06989113
Names & identifiers
- Preferred name
- 1-(5-Fluoro-2,3'-bipyridin-6'-yl)ethanone
- IUPAC
- 1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
Names & synonyms
1022154-81-91-(5-fluoro-2,3'-bipyridin-6'-yl)ethanoneSCHEMBL3823520JKDROTMYJVRICY-UHFFFAOYSA-NDTXSID801265748DB-1210281-(5-Fluoro[2,3'-bipyridin]-6'-yl)ethan-1-one1-(5-Fluoro[2,3a(2)-bipyridin]-6a(2)-yl)ethanone
Database identifiers
- CAS
1022154-81-9- PubChem CID
- 59162014
- DTXSID
DTXSID801265748
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
1 records
Compound notes
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