Basic information
- CAS
63648-68-0- Standard SMILES
O=[N+]([O-])c1ccc(C=Cc2nc3nc([N+](=O)[O-])ccc3[nH]2)cc1- InChIKey
UJLDLVPNUCZRPI-UHFFFAOYSA-N- Molecular formula
- C14H9N5O4
- Average molar mass
- 311.25 g/mol
- Monoisotopic mass
- 311.06545379
Names & identifiers
- Preferred name
- 5-Nitro-2-[2-(4-nitrophenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
- IUPAC
- 5-nitro-2-[2-(4-nitrophenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
Names & synonyms
63648-68-05-Nitro-2-[2-(4-nitrophenyl)ethenyl]-1H-imidazo[4,5-b]pyridineDTXSID608034785-Nitro-2-[2-(4-nitrophenyl)ethen-1-yl]-1H-imidazo[4,5-b]pyridine
Database identifiers
- CAS
63648-68-0- PubChem CID
- 71380997
- DTXSID
DTXSID60803478
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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