4-(3-Fluoropyridin-4-yl)benzonitrile
Basic information
- Standard SMILES
N#Cc1ccc(-c2ccncc2F)cc1- InChIKey
XMTQYGZZUHXZOC-UHFFFAOYSA-N- Molecular formula
- C12H7FN2
- Average molar mass
- 198.2 g/mol
Names & identifiers
- Preferred name
- 4-(3-Fluoropyridin-4-yl)benzonitrile
- IUPAC
- 4-(3-fluoro-4-pyridinyl)benzonitrile
Names & synonyms
4-(3-fluoropyridin-4-yl)benzonitrile144397-72-8SCHEMBL9987705XMTQYGZZUHXZOC-UHFFFAOYSA-N4-(3-Fluoro-4-pyridinyl)benzonitrileDB-379662
Database identifiers
- PubChem CID
- 10856435
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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