Basic information
- Standard SMILES
Clc1ccccc1-c1cc(-c2cccnc2)no1- InChIKey
SJWGGMLQSOHJAP-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O
- Average molar mass
- 256.68 g/mol
Names & identifiers
- Preferred name
- 5-(2-Chlorophenyl)-3-(pyridin-3-yl)isoxazole
- IUPAC
- 5-(2-chlorophenyl)-3-pyridin-3-yl-1,2-oxazole
Names & synonyms
SCHEMBL4326968SJWGGMLQSOHJAP-UHFFFAOYSA-N5-(2-Chlorophenyl)-3-(pyridin-3-yl)isoxazole
Database identifiers
- PubChem CID
- 44546284
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
1 records
Compound notes
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