Basic information
- Standard SMILES
COc1ccc(Cn2cc(I)c(C)c([N+](=O)[O-])c2=O)cc1- InChIKey
GZRILZLMDYEJCJ-UHFFFAOYSA-N- Molecular formula
- C14H13IN2O4
- Average molar mass
- 400.17 g/mol
- Monoisotopic mass
- 399.992
Names & identifiers
- Preferred name
- 1-(4-Methoxybenzyl)-5-iodo-4-methyl-3-nitro-2-pyridone
- IUPAC
- 5-iodo-1-[(4-methoxyphenyl)methyl]-4-methyl-3-nitropyridin-2-one
Names & synonyms
SCHEMBL4682894GZRILZLMDYEJCJ-UHFFFAOYSA-N1-(4-methoxybenzyl)-5-iodo-4-methyl-3-nitro-2-pyridone
Database identifiers
- PubChem CID
- 21706516
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 502
Related reactions
8 records
Compound notes
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