Basic information
- Standard SMILES
N#Cc1ccncc1-c1cc([N+](=O)[O-])ccc1F- InChIKey
ROBKIRWTPOVTKD-UHFFFAOYSA-N- Molecular formula
- C12H6FN3O2
- Average molar mass
- 243.19 g/mol
Names & identifiers
- Preferred name
- 3-(2-Fluoro-5-nitrophenyl)isonicotinonitrile
- IUPAC
- 3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
Names & synonyms
462652-70-64-pyridinecarbonitrile,3-(2-fluoro-5-nitrophenyl)-SCHEMBL2652003ROBKIRWTPOVTKD-UHFFFAOYSA-N3-(2-fluoro-5-nitrophenyl)isonicotinonitrile
Database identifiers
- PubChem CID
- 22473560
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
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