Basic information
- Standard SMILES
CCCCCCn1cc(I)c(C)c([N+](=O)[O-])c1=O- InChIKey
AGIQLDPDJUCOLX-UHFFFAOYSA-N- Molecular formula
- C12H17IN2O3
- Average molar mass
- 364.18 g/mol
- Monoisotopic mass
- 364.02839
Names & identifiers
- Preferred name
- 1-Hexyl-5-iodo-4-methyl-3-nitro-2-pyridone
- IUPAC
- 1-hexyl-5-iodo-4-methyl-3-nitropyridin-2-one
Names & synonyms
SCHEMBL4679318AGIQLDPDJUCOLX-UHFFFAOYSA-N1-hexyl-5-iodo-4-methyl-3-nitro-2-pyridone
Database identifiers
- PubChem CID
- 21706525
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 410
Related reactions
10 records
Compound notes
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