5-bromo-2-(trimethylsilyl)furo[2,3-b]pyridine

• ChemBase ID: 51684
• Molecular Formular: C10H12BrNOSi
• Molecular Mass: 270.19788
• Monoisotopic Mass: 268.98715254
• SMILES: c1(cnc2c(c1)cc(o2)[Si](C)(C)C)Br
• Canonical SMILES: Brc1cnc2c(c1)cc(o2)[Si](C)(C)C
• InChI: InChI=1S/C10H12BrNOSi/c1-14(2,3)9-5-7-4-8(11)6-12-10(7)13-9/h4-6H,1-3H3
• InChIKey: XVBPLCGYJFHHSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(trimethylsilyl)furo[2,3-b]pyridine
• IUPAC Traditional name: 5-bromo-2-(trimethylsilyl)furo[2,3-b]pyridine
• Synonyms: 5-Bromo-2-(trimethylsilyl)furo[2,3-b]pyridine; 5-Bromo-2-(trimethylsilyl)furo[2,3-b]pyridine

Database IDs

• CAS Number: 1228665-74-4
• MDL Number: MFCD16628265
• PubChem SID: 162056447
• PubChem CID: 49761648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7625
• LogD (pH = 7.4): 3.7625
• Log P: 3.7625
• Molar Refractivity: 55.6345 cm^3
• Polarizability: 24.385303 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H12BrNOSi

DETAILS

Sigma Aldrich - ADE001192

Other Notes
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