Basic information
- Standard SMILES
COc1ccc(-c2cc[nH]c(=O)c2[N+](=O)[O-])c(Cl)c1- InChIKey
XLKPNDFHHRGBMZ-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O4
- Average molar mass
- 280.66 g/mol
- Monoisotopic mass
- 280.0250845
Names & identifiers
- Preferred name
- 4-(2-chloro-4-methoxy-phenyl)-3-nitro-1H-pyridin-2-one
- IUPAC
- 4-(2-chloro-4-methoxyphenyl)-3-nitro-1H-pyridin-2-one
Names & synonyms
SCHEMBL6083149XLKPNDFHHRGBMZ-UHFFFAOYSA-N4-(2-chloro-4-methoxy-phenyl)-3-nitro-1H-pyridin-2-one
Database identifiers
- PubChem CID
- 22052072
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 455
Related reactions
2 records
Compound notes
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