1-(2,6-Difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)pyridin-2-yl]but-3-yn-2-one
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Basic information
- Standard SMILES
C#CC(=O)C(c1ccc(CO)c(-c2ccc(F)cc2F)n1)c1c(F)cccc1F- InChIKey
QKUVZVSUWRPFMV-UHFFFAOYSA-N- Molecular formula
- C22H13F4NO2
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 399.08824131
Names & identifiers
- Preferred name
- 1-(2,6-Difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)pyridin-2-yl]but-3-yn-2-one
- IUPAC
- 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]but-3-yn-2-one
Names & synonyms
SCHEMBL1244652QKUVZVSUWRPFMV-UHFFFAOYSA-N1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)pyridin-2-yl]but-3-yn-2-one
Database identifiers
- PubChem CID
- 57700377
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 613
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Related reactions
2 records
Compound notes
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