5-bromofuro[2,3-b]pyridine

• ChemBase ID: 51683
• Molecular Formular: C7H4BrNO
• Molecular Mass: 198.01676
• Monoisotopic Mass: 196.94762575
• SMILES: c1(cnc2c(c1)cco2)Br
• Canonical SMILES: Brc1cnc2c(c1)cco2
• InChI: InChI=1S/C7H4BrNO/c8-6-3-5-1-2-10-7(5)9-4-6/h1-4H
• InChIKey: ILFJFOMSHYIUTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromofuro[2,3-b]pyridine
• IUPAC Traditional name: 5-bromofuro[2,3-b]pyridine
• Synonyms: 5-Bromofuro[2,3-b]pyridine; 5-Bromofuro[2,3-b]pyridine

Database IDs

• CAS Number: 220957-39-1
• MDL Number: MFCD16628264
• PubChem SID: 162056446
• PubChem CID: 10679449

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0509114
• LogD (pH = 7.4): 2.0509114
• Log P: 2.0509114
• Molar Refractivity: 40.3176 cm^3
• Polarizability: 16.001133 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 - ADE001191

Other Notes
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