Basic information
- Standard SMILES
Cc1c(I)c[nH]c(=O)c1[N+](=O)[O-]- InChIKey
BSICLQULGOEQBS-UHFFFAOYSA-N- Molecular formula
- C6H5IN2O3
- Average molar mass
- 280.02 g/mol
Names & identifiers
- Preferred name
- 5-Iodo-4-methyl-3-nitro-1,2-dihydropyridin-2-one
- IUPAC
- 5-iodo-4-methyl-3-nitro-1H-pyridin-2-one
Names & synonyms
228410-97-75-iodo-4-methyl-3-nitro-1,2-dihydropyridin-2-one5-Iodo-4-methyl-3-nitropyridin-2(1H)-oneSCHEMBL4682790BSICLQULGOEQBS-UHFFFAOYSA-N5-Iodo-4-methyl-3-nitro-2-pyridoneG46955EN300-22897139
Database identifiers
- PubChem CID
- 21706514
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 313
Related reactions
11 records
Compound notes
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