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

• ChemBase ID: 289609
• Molecular Formular: C7H3BrClNO
• Molecular Mass: 232.46182
• Monoisotopic Mass: 230.9086534
• SMILES: Clc1nccc2c1c(Br)co2
• Canonical SMILES: Brc1coc2c1c(Cl)ncc2
• InChI: InChI=1S/C7H3BrClNO/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H
• InChIKey: VJWDCUWEVVDVKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 220939-72-0
• MDL Number: MFCD13193360
• PubChem SID: 180675140
• PubChem CID: 10681119

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5076706
• LogD (pH = 7.4): 2.5076714
• Log P: 2.5076714
• Molar Refractivity: 46.2311 cm^3
• Polarizability: 18.651691 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%