Basic information
- Standard SMILES
CSc1cccc(-c2cncc(Br)c2)c1- InChIKey
FQKHODHOLVOCPU-UHFFFAOYSA-N- Molecular formula
- C12H10BrNS
- Average molar mass
- 280.19 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-5-[3-(methylthio)phenyl]pyridine
- IUPAC
- 3-bromo-5-(3-methylsulfanylphenyl)pyridine
Names & synonyms
SCHEMBL4204754FQKHODHOLVOCPU-UHFFFAOYSA-N3-bromo-5-[3-(methylthio)phenyl]pyridine
Database identifiers
- PubChem CID
- 68954635
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Related reactions
2 records
Compound notes
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