Basic information
- Standard SMILES
Cc1ccc(-c2cc([N+](=O)[O-])cn(C)c2=O)c(C)c1- InChIKey
MQOHRJCBSORQNW-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
Names & identifiers
- Preferred name
- 3-(2,4-Dimethylphenyl)-1-methyl-5-nitropyridin-2(1H)-one
- IUPAC
- 3-(2,4-dimethylphenyl)-1-methyl-5-nitropyridin-2-one
Names & synonyms
SCHEMBL2070832MQOHRJCBSORQNW-UHFFFAOYSA-N3-(2,4-Dimethylphenyl)-1-methyl-5-nitropyridin-2(1H)-one
Database identifiers
- PubChem CID
- 67267442
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 462
Related reactions
4 records
Compound notes
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