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

• ChemBase ID: 44966
• Molecular Formular: C7H3BrINO
• Molecular Mass: 323.91329
• Monoisotopic Mass: 322.84427372
• SMILES: c1(cnc2c(c1)oc(c2)I)Br
• Canonical SMILES: Brc1cnc2c(c1)oc(c2)I
• InChI: InChI=1S/C7H3BrINO/c8-4-1-6-5(10-3-4)2-7(9)11-6/h1-3H
• InChIKey: AKTPLXABDGYVAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1171920-55-0
• MDL Number: MFCD12922791
• PubChem SID: 162049729
• PubChem CID: 46737931

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.174327
• LogD (pH = 7.4): 3.1743343
• Log P: 3.1743343
• Molar Refractivity: 51.6544 cm^3
• Polarizability: 22.154776 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C7H3BrINO

DETAILS

Sigma Aldrich - ADE001171

Other Notes
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