Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])cnc1CCC#N- InChIKey
VGTFHZNMBBISKG-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
Names & identifiers
- Preferred name
- 5-Nitro-2-(2-cyanoethyl)-3-methylpyridine
- IUPAC
- 3-(3-methyl-5-nitro-2-pyridinyl)propanenitrile
Names & synonyms
SCHEMBL10367362VGTFHZNMBBISKG-UHFFFAOYSA-N5-Nitro-2-(2-cyanoethyl)-3-methylpyridine
Database identifiers
- PubChem CID
- 19851777
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Related reactions
5 records
Compound notes
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