Basic information
- Standard SMILES
COc1cc(C)c(-c2ccnc(OCc3ccccc3)c2[N+](=O)[O-])cc1Cl- InChIKey
CWZUKLFWZZRNGW-UHFFFAOYSA-N- Molecular formula
- C20H17ClN2O4
- Average molar mass
- 384.8 g/mol
- Monoisotopic mass
- 384.0876847
Names & identifiers
- Preferred name
- 2-Benzyloxy-4-(5-chloro-4-methoxy-2-methyl-phenyl)-3-nitro-pyridine
- IUPAC
- 4-(5-chloro-4-methoxy-2-methylphenyl)-3-nitro-2-phenylmethoxypyridine
Names & synonyms
SCHEMBL6082406CWZUKLFWZZRNGW-UHFFFAOYSA-N2-benzyloxy-4-(5-chloro-4-methoxy-2-methyl-phenyl)-3-nitro-pyridine
Database identifiers
- PubChem CID
- 22052071
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
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