3-bromo-4-chlorothieno[3,2-c]pyridine

• ChemBase ID: 289225
• Molecular Formular: C7H3BrClNS
• Molecular Mass: 248.52742
• Monoisotopic Mass: 246.88580978
• SMILES: Clc1nccc2c1c(Br)cs2
• Canonical SMILES: Brc1csc2c1c(Cl)ncc2
• InChI: InChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H
• InChIKey: FXIKIVFBAQCMRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-chlorothieno[3,2-c]pyridine
• IUPAC Traditional name: 3-bromo-4-chlorothieno[3,2-c]pyridine
• Synonyms: 3-Bromo-4-chlorothieno[3,2-c]pyridine

Database IDs

• CAS Number: 29064-82-2
• PubChem SID: 180674756
• PubChem CID: 18450773

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2245724
• LogD (pH = 7.4): 3.2245727
• Log P: 3.2245727
• Molar Refractivity: 50.7301 cm^3
• Polarizability: 20.408373 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%