Basic information
- Standard SMILES
[O-][N+]#Cc1cccnc1- InChIKey
GWLAKCWJILJRDA-UHFFFAOYSA-N- Molecular formula
- C6H4N2O
- Average molar mass
- 120.11 g/mol
Names & identifiers
- Preferred name
- Nicotinonitrile oxide
- IUPAC
- pyridine-3-carbonitrile oxide
Names & synonyms
nicotinonitrile oxideSCHEMBL27936746GWLAKCWJILJRDA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 12359258
- Nikkaji
- J2.170.498I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Related reactions
3 records
Compound notes
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