Basic information
- Standard SMILES
Cc1cnc(Cl)nc1-c1cc2ccc(Br)cc2s1- InChIKey
IYLKFYPODUHWDR-UHFFFAOYSA-N- Molecular formula
- C13H8BrClN2S
- Average molar mass
- 339.64 g/mol
Names & identifiers
- Preferred name
- 4-(6-Bromobenzo[b]thiophen-2-yl)-2-chloro-5-methylpyrimidine
- IUPAC
- 4-(6-bromo-1-benzothiophen-2-yl)-2-chloro-5-methylpyrimidine
Names & synonyms
SCHEMBL3969215IYLKFYPODUHWDR-UHFFFAOYSA-N4-(6-bromobenzo[b]thiophen-2-yl)-2-chloro-5-methylpyrimidine
Database identifiers
- PubChem CID
- 86625374
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
3 records
Compound notes
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