Basic information
- CAS
54356-26-2- Standard SMILES
O=[N+]([O-])c1cnccc1-c1ccncc1[N+](=O)[O-]- InChIKey
YWAJLBQBSMYGII-UHFFFAOYSA-N- Molecular formula
- C10H6N4O4
- Average molar mass
- 246.18 g/mol
- Monoisotopic mass
- 246.03890469
Names & identifiers
- Preferred name
- 3-Nitro-4-(3-nitropyridin-4-yl)pyridine
- IUPAC
- 3-nitro-4-(3-nitro-4-pyridinyl)pyridine
Names & synonyms
54356-26-23-nitro-4-(3-nitropyridin-4-yl)pyridine3,3'-Dinitro-4,4'-bipyridyl4,4'-Bipyridine, 3,3'-dinitro-3,3'-dinitro-4,4'-bipyridineorb3213362DTXSID60371268MFCD03094712
Database identifiers
- CAS
54356-26-2- PubChem CID
- 2736314
- DTXSID
DTXSID60371268
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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