4-Chloro-1-oxo-1lambda~5~-pyridine-2-carbonitrile
Basic information
- CAS
62150-43-0- Standard SMILES
N#Cc1cc(Cl)cc[n+]1[O-]- InChIKey
UQQPDZOYPSAPQY-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O
- Average molar mass
- 154.55 g/mol
- Monoisotopic mass
- 153.9933904
Names & identifiers
- Preferred name
- 4-Chloro-1-oxo-1lambda~5~-pyridine-2-carbonitrile
- IUPAC
- 4-chloro-1-oxidopyridin-1-ium-2-carbonitrile
Names & synonyms
62150-43-0DTXSID90579497TQP12014-chloro-2-cyanopyridine 1-oxide4-Chloro-1-oxo-1lambda~5~-pyridine-2-carbonitrile
Database identifiers
- CAS
62150-43-0- PubChem CID
- 15915664
- DTXSID
DTXSID90579497- Nikkaji
- J2.978.479E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
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Compound notes
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