3-bromo-5-chlorothieno[3,2-b]pyridine

• ChemBase ID: 293203
• Molecular Formular: C7H3BrClNS
• Molecular Mass: 248.52742
• Monoisotopic Mass: 246.88580978
• SMILES: Clc1ccc2c(c(Br)cs2)n1
• Canonical SMILES: Clc1ccc2c(n1)c(Br)cs2
• InChI: InChI=1S/C7H3BrClNS/c8-4-3-11-5-1-2-6(9)10-7(4)5/h1-3H
• InChIKey: QGZAMJYHCIHPCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-chlorothieno[3,2-b]pyridine
• IUPAC Traditional name: 3-bromo-5-chlorothieno[3,2-b]pyridine
• Synonyms: 3-Bromo-5-chlorothieno[3,2-b]pyridine

Database IDs

• CAS Number: 912332-40-2
• MDL Number: MFCD13176580
• PubChem SID: 180678734
• PubChem CID: 71464339

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.610423
• LogD (pH = 7.4): 3.610423
• Log P: 3.610423
• Molar Refractivity: 50.3581 cm^3
• Polarizability: 20.401031 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%