Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])c(C)c(C#N)n1- InChIKey
RRXDBAMCCYZHTN-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 3,6-Dimethyl-4-nitro-pyridine-2-carbonitrile
- IUPAC
- 3,6-dimethyl-4-nitropyridine-2-carbonitrile
Names & synonyms
SCHEMBL1793001RRXDBAMCCYZHTN-UHFFFAOYSA-N3,6-Dimethyl-4-nitro-pyridine-2-carbonitrile3, 6-Dimethyl-4-nitro-pyridine-2-carbonitrile
Database identifiers
- PubChem CID
- 67163003
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 252
Related reactions
1 records
Compound notes
Loading…