2-bromo-7-chlorothieno[3,2-b]pyridine

• ChemBase ID: 63481
• Molecular Formular: C7H3BrClNS
• Molecular Mass: 248.52742
• Monoisotopic Mass: 246.88580978
• SMILES: c1c(sc2c(ccnc12)Cl)Br
• Canonical SMILES: Brc1cc2c(s1)c(Cl)ccn2
• InChI: InChI=1S/C7H3BrClNS/c8-6-3-5-7(11-6)4(9)1-2-10-5/h1-3H
• InChIKey: XMZQZXNHMUDHNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-7-chlorothieno[3,2-b]pyridine
• IUPAC Traditional name: 2-bromo-7-chlorothieno[3,2-b]pyridine
• Synonyms: 2-Bromo-7-chloro-thieno[3,2-b]pyridine

Database IDs

• CAS Number: 225385-05-7
• MDL Number: MFCD16659143
• PubChem SID: 162029220
• PubChem CID: 18382774

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5561762
• LogD (pH = 7.4): 3.556241
• Log P: 3.5562418
• Molar Refractivity: 48.4567 cm^3
• Polarizability: 20.390585 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%