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

• ChemBase ID: 64891
• Molecular Formular: C7H3BrClNS
• Molecular Mass: 248.52742
• Monoisotopic Mass: 246.88580978
• SMILES: n1ccc2sc(cc2c1Cl)Br
• Canonical SMILES: Brc1sc2c(c1)c(Cl)ncc2
• InChI: InChI=1S/C7H3BrClNS/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1-3H
• InChIKey: QPGCPWZFCLBFCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 28948-61-0
• MDL Number: MFCD08273916
• PubChem SID: 162030630
• PubChem CID: 17750390

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3905685
• LogD (pH = 7.4): 3.3905687
• Log P: 3.3905687
• Molar Refractivity: 49.89 cm^3
• Polarizability: 20.434843 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%