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

• ChemBase ID: 64928
• Molecular Formular: C7H3BrClNS
• Molecular Mass: 248.52742
• Monoisotopic Mass: 246.88580978
• SMILES: n1cc(c2sccc2c1Cl)Br
• Canonical SMILES: Brc1cnc(c2c1scc2)Cl
• InChI: InChI=1S/C7H3BrClNS/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H
• InChIKey: AXJKCXXTMCUWLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-4-chlorothieno[3,2-c]pyridine
• IUPAC Traditional name: 7-bromo-4-chlorothieno[3,2-c]pyridine
• Synonyms: 7-Bromo-4-chlorothieno[3,2-c]pyridine

Database IDs

• CAS Number: 29064-76-4
• MDL Number: MFCD11846192
• PubChem SID: 162030667
• PubChem CID: 46839904

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2245727
• LogD (pH = 7.4): 3.2245727
• Log P: 3.2245727
• Molar Refractivity: 50.7301 cm^3
• Polarizability: 20.41051 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%; 95+%