Basic information
- Standard SMILES
Cc1ccc(OCc2ccc(CC[N+](=O)[O-])cc2)nc1- InChIKey
FJUVRLZPYZJOPU-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.11609238
Names & identifiers
- Preferred name
- 5-Methyl-2-(4-(2-nitro-ethyl)-benzyloxy)pyridine
- IUPAC
- 5-methyl-2-[[4-(2-nitroethyl)phenyl]methoxy]pyridine
Names & synonyms
SCHEMBL509708FJUVRLZPYZJOPU-UHFFFAOYSA-N5-Methyl-2-(4-(2-nitro-ethyl)-benzyloxy)pyridine
Database identifiers
- PubChem CID
- 59255103
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 298
Related reactions
6 records
Compound notes
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