4-(3-bromo-5-chlorophenoxy)-6-methylpyridin-2(1H)-one
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Basic information
- Standard SMILES
Cc1cc(Oc2cc(Cl)cc(Br)c2)cc(=O)[nH]1- InChIKey
CJIKZASCZGMNKD-UHFFFAOYSA-N- Molecular formula
- C12H9BrClNO2
- Average molar mass
- 314.56 g/mol
- Monoisotopic mass
- 312.95052
Names & identifiers
- Preferred name
- 4-(3-bromo-5-chlorophenoxy)-6-methylpyridin-2(1H)-one
- IUPAC
- 4-(3-bromo-5-chlorophenoxy)-6-methyl-1H-pyridin-2-one
Names & synonyms
1155847-19-0SCHEMBL31065124-(3-bromo-5-chlorophenoxy)-6-methylpyridin-2(1H)-oneCJIKZASCZGMNKD-UHFFFAOYSA-NDB-117473
Database identifiers
- PubChem CID
- 59529752
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Related reactions
2 records
Compound notes
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