Basic information
- CAS
463335-92-4- Standard SMILES
N#Cc1cc(F)ccc1-c1cccc(Br)n1- InChIKey
SQWBKCNDVQCXRK-UHFFFAOYSA-N- Molecular formula
- C12H6BrFN2
- Average molar mass
- 277.09 g/mol
- Monoisotopic mass
- 275.96984
Names & identifiers
- Preferred name
- 2-(6-Bromopyridin-2-yl)-5-fluorobenzonitrile
- IUPAC
- 2-(6-bromo-2-pyridinyl)-5-fluorobenzonitrile
Names & synonyms
2-(6-bromopyridin-2-yl)-5-fluorobenzonitrile463335-92-4SCHEMBL2651275DTXSID30623307SQWBKCNDVQCXRK-UHFFFAOYSA-N
Database identifiers
- CAS
463335-92-4- PubChem CID
- 22180769
- DTXSID
DTXSID30623307
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Related reactions
3 records
Compound notes
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