2-{2-[(4-Chlorophenyl)methylidene]hydrazinyl}-5-nitropyridine
Basic information
- CAS
28058-13-1- Standard SMILES
O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)cc2)nc1- InChIKey
DUCXZFHQCWBTLC-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4O2
- Average molar mass
- 276.68 g/mol
- Monoisotopic mass
- 276.0414032
Names & identifiers
- Preferred name
- 2-{2-[(4-Chlorophenyl)methylidene]hydrazinyl}-5-nitropyridine
- IUPAC
- N-[(4-chlorophenyl)methylideneamino]-5-nitropyridin-2-amine
Names & synonyms
DTXSID909507672-{2-[(4-Chlorophenyl)methylidene]hydrazinyl}-5-nitropyridine2-{2-[(4-Chlorophenyl)methylidene]hydrazin-1-yl}-5-nitropyridine
Database identifiers
- CAS
28058-13-1- PubChem CID
- 72691
- DTXSID
DTXSID90950767
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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