Basic information
- Standard SMILES
O=[N+]([O-])c1cc(Cc2cccnc2)cnc1Cl- InChIKey
IBSNIBSVQVFODG-UHFFFAOYSA-N- Molecular formula
- C11H8ClN3O2
- Average molar mass
- 249.65 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-3-nitro-5-(pyridin-3-ylmethyl)pyridine
- IUPAC
- 2-chloro-3-nitro-5-(pyridin-3-ylmethyl)pyridine
Names & synonyms
SCHEMBL10366552
Database identifiers
- PubChem CID
- 19851784
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
1 records
Compound notes
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