Basic information
- Standard SMILES
COc1cc(Cl)c(-c2ccnc(OCc3ccccc3)c2[N+](=O)[O-])cc1F- InChIKey
OJUKMJDRIRSIBW-UHFFFAOYSA-N- Molecular formula
- C19H14ClFN2O4
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.0626128
Names & identifiers
- Preferred name
- 2-Benzyloxy-4-(2-chloro-5-fluoro-4-methoxy-phenyl)-3-nitro-pyridine
- IUPAC
- 4-(2-chloro-5-fluoro-4-methoxyphenyl)-3-nitro-2-phenylmethoxypyridine
Names & synonyms
SCHEMBL6081558OJUKMJDRIRSIBW-UHFFFAOYSA-N2-benzyloxy-4-(2-chloro-5-fluoro-4-methoxy-phenyl)-3-nitro-pyridine
Database identifiers
- PubChem CID
- 22052076
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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