Basic information
- Standard SMILES
N#Cc1cccc(-c2cc(-c3cncc(F)c3)no2)c1- InChIKey
NVWKLLHQCRIAAN-UHFFFAOYSA-N- Molecular formula
- C15H8FN3O
- Average molar mass
- 265.24 g/mol
- Monoisotopic mass
- 265.06514005
Names & identifiers
- Preferred name
- 3-(3-(5-Fluoropyridin-3-yl)isoxazol-5-yl)benzonitrile
- IUPAC
- 3-[3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-yl]benzonitrile
Names & synonyms
SCHEMBL4331562NVWKLLHQCRIAAN-UHFFFAOYSA-N3-(3-(5-Fluoropyridin-3-yl)isoxazol-5-yl)benzonitrile
Database identifiers
- PubChem CID
- 44546287
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
1 records
Compound notes
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