Pyridine, 2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-
Basic information
- CAS
58754-18-0- Standard SMILES
O=[N+]([O-])c1cc2c(cc1C=Cc1ccccn1)OCO2- InChIKey
CFLIAJWQICIFDF-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.0640568
Names & identifiers
- Preferred name
- Pyridine, 2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-
- IUPAC
- 2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]pyridine
Names & synonyms
58754-18-0Pyridine, 2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-2-(4,5-Methylenedioxy-2-nitrostyryl)pyridineSCHEMBL11332257DTXSID60326733CFLIAJWQICIFDF-UHFFFAOYSA-N2-[2-(6-Nitro-2H-1,3-benzodioxol-5-yl)ethen-1-yl]pyridine
Database identifiers
- CAS
58754-18-0- PubChem CID
- 356499
- DTXSID
DTXSID60326733
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
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Related reactions
5 records
Compound notes
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