Basic information
- CAS
856858-19-0- Standard SMILES
N#CCc1cc[n+]([O-])cc1- InChIKey
CVTXEENQPHNTNG-UHFFFAOYSA-N- Molecular formula
- C7H6N2O
- Average molar mass
- 134.14 g/mol
- Monoisotopic mass
- 134.04801282
Names & identifiers
- Preferred name
- (1-Oxo-1lambda~5~-pyridin-4-yl)acetonitrile
- IUPAC
- 2-(1-oxidopyridin-1-ium-4-yl)acetonitrile
Names & synonyms
(1-Oxo-1lambda~5~-pyridin-4-yl)acetonitrile856858-19-04-Cyanomethylpyridine-1-oxideSCHEMBL1898943DTXSID60719661CVTXEENQPHNTNG-UHFFFAOYSA-N
Database identifiers
- CAS
856858-19-0- PubChem CID
- 56972609
- DTXSID
DTXSID60719661
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…