Basic information
- Standard SMILES
N#Cc1cccnc1-c1cc(B(O)O)ccc1F- InChIKey
MKHCEYUAQNIFHH-UHFFFAOYSA-N- Molecular formula
- C12H8BFN2O2
- Average molar mass
- 242.02 g/mol
- Monoisotopic mass
- 242.0662858
Names & identifiers
- Preferred name
- 4-Fluoro-3-(3-cyanopyridin-2-yl)phenylboronic acid
- IUPAC
- [3-(3-cyano-2-pyridinyl)-4-fluorophenyl]boronic acid
Names & synonyms
SCHEMBL2649508MKHCEYUAQNIFHH-UHFFFAOYSA-N4-fluoro-3-(3-cyanopyridin-2-yl)phenylboronic acid3-(3-cyanopyridin-2-yl)-4-fluorobenzeneboronic acid
Database identifiers
- PubChem CID
- 22285270
Properties
Computed structural properties
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
4 records
Compound notes
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