Basic information
- Standard SMILES
CC(O)c1c(F)cncc1-c1ccc2c(c1)COC2=O- InChIKey
LERJNCKATTUBQY-UHFFFAOYSA-N- Molecular formula
- C15H12FNO3
- Average molar mass
- 273.26 g/mol
- Monoisotopic mass
- 273.08012141
Names & identifiers
- Preferred name
- 5-[5-Fluoro-4-(1-hydroxy-ethyl)-pyridin-3-yl]-3H-Isobenzofuran-1-one
- IUPAC
- 5-[5-fluoro-4-(1-hydroxyethyl)-3-pyridinyl]-3H-2-benzofuran-1-one
Names & synonyms
SCHEMBL6920083LERJNCKATTUBQY-UHFFFAOYSA-N5-[5-Fluoro-4-(1-hydroxy-ethyl)-pyridin-3-yl]-3H-Isobenzofuran-1-one
Database identifiers
- PubChem CID
- 69937515
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
2 records
Compound notes
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