Basic information
- Standard SMILES
N#Cc1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]- InChIKey
BMYJZJPYYWURMN-UHFFFAOYSA-N- Molecular formula
- C13H5ClF3N3O2
- Average molar mass
- 327.64 g/mol
- Monoisotopic mass
- 327.0022386
Names & identifiers
- Preferred name
- 3-Chloro-2-(4-cyano-3-nitrophenyl)-5-trifluoromethylpyridine
- IUPAC
- 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-nitrobenzonitrile
Names & synonyms
3-Chloro-2-(4-cyano-3-nitrophenyl)-5-trifluoromethylpyridineSCHEMBL6176381
Database identifiers
- PubChem CID
- 19068752
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
Related reactions
2 records
Compound notes
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