Basic information
- Standard SMILES
O=[N+]([O-])/C=C/c1cccc(OCc2ccccn2)c1- InChIKey
XSHQIZIUGSVBDM-VQHVLOKHSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
Names & identifiers
- Preferred name
- 2-(3-((E)-2-nitro-vinyl)-phenoxymethyl)-pyridine
- IUPAC
- 2-[[3-[(E)-2-nitroethenyl]phenoxy]methyl]pyridine
Names & synonyms
CHEMBL5188622SCHEMBL510139XSHQIZIUGSVBDM-VQHVLOKHSA-NBDBM505902402-(3-((E)-2-nitro-vinyl)-phenoxymethyl)-pyridine
Database identifiers
- PubChem CID
- 59255249
- ChEMBL
CHEMBL5188622
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
10 records
Compound notes
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