4-Methoxy-1-oxidopyridin-1-ium-3-carbonitrile
Basic information
- CAS
220698-57-7- Standard SMILES
COc1cc[n+]([O-])cc1C#N- InChIKey
IDAACFCNBDEIOQ-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.04292744
Overview
3-cyano-4-methoxypyridin-1-ium-1-olate has been reported in Mallotus apelta and Macaranga tanarius with data available.
Names & identifiers
- Preferred name
- 4-Methoxy-1-oxidopyridin-1-ium-3-carbonitrile
- IUPAC
- 4-methoxy-1-oxidopyridin-1-ium-3-carbonitrile
- English name
- 3-Pyridinecarbonitrile,4-methoxy-,1-oxide(9CI)
- Molecular formula
- C7H6N2O2
- Molecular weight
- 0
Names & synonyms
3-Pyridinecarbonitrile,4-methoxy-,1-oxide(9CI)
Database identifiers
- CAS
220698-57-7- PubChem CID
- 45079694
- Nikkaji
- J1.055.807G
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
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Related reactions
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Compound notes
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