2-bromo-6-chlorothieno[2,3-b]pyridine

• ChemBase ID: 65305
• Molecular Formular: C7H3BrClNS
• Molecular Mass: 248.52742
• Monoisotopic Mass: 246.88580978
• SMILES: c1c(nc2sc(cc2c1)Br)Cl
• Canonical SMILES: Clc1ccc2c(n1)sc(c2)Br
• InChI: InChI=1S/C7H3BrClNS/c8-5-3-4-1-2-6(9)10-7(4)11-5/h1-3H
• InChIKey: ZXVWVCBUASMPQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-chlorothieno[2,3-b]pyridine
• IUPAC Traditional name: 2-bromo-6-chlorothieno[2,3-b]pyridine
• Synonyms: 2-Bromo-6-chlorothieno[2,3-b]pyridine

Database IDs

• CAS Number: 68236-35-1
• MDL Number: MFCD08706311
• PubChem SID: 162031044
• PubChem CID: 11715760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7580307
• LogD (pH = 7.4): 3.7580307
• Log P: 3.7580307
• Molar Refractivity: 49.8426 cm^3
• Polarizability: 19.826246 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%