6-bromofuro[3,2-b]pyridine

• ChemBase ID: 32542
• Molecular Formular: C7H4BrNO
• Molecular Mass: 198.01676
• Monoisotopic Mass: 196.94762575
• SMILES: c1(cnc2c(c1)occ2)Br
• Canonical SMILES: Brc1cnc2c(c1)occ2
• InChI: InChI=1S/C7H4BrNO/c8-5-3-7-6(9-4-5)1-2-10-7/h1-4H
• InChIKey: JGFXSVJDCAIQJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromofuro[3,2-b]pyridine
• IUPAC Traditional name: 6-bromofuro[3,2-b]pyridine
• Synonyms: 6-Bromofuro[3,2-b]pyridine; 6-Bromofuro[3,2-b]pyridine

Database IDs

• CAS Number: 934330-61-7
• MDL Number: MFCD11857686
• PubChem SID: 160995849
• PubChem CID: 22602809

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0692494
• LogD (pH = 7.4): 2.0692992
• Log P: 2.0692997
• Molar Refractivity: 39.993 cm^3
• Polarizability: 16.60854 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): C7H4BrNO

DETAILS

Sigma Aldrich - ADE001159

Other Notes
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