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

• ChemBase ID: 33029
• Molecular Formular: C10H12BrNOSi
• Molecular Mass: 270.19788
• Monoisotopic Mass: 268.98715254
• SMILES: c1(cnc2c(c1)oc(c2)[Si](C)(C)C)Br
• Canonical SMILES: Brc1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C10H12BrNOSi/c1-14(2,3)10-5-8-9(13-10)4-7(11)6-12-8/h4-6H,1-3H3
• InChIKey: IXYOZGPZWPDQKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(trimethylsilyl)furo[3,2-b]pyridine
• IUPAC Traditional name: 6-bromo-2-(trimethylsilyl)furo[3,2-b]pyridine
• Synonyms: 6-Bromo-2-(trimethylsilyl)furo[3,2-b]pyridine; 6-Bromo-2-(trimethylsilyl)furo[3,2-b]pyridine

Database IDs

• CAS Number: 1131335-72-2
• MDL Number: MFCD11857748
• PubChem SID: 160996336
• PubChem CID: 23016561

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7316697
• LogD (pH = 7.4): 3.7316997
• Log P: 3.7317
• Molar Refractivity: 55.3099 cm^3
• Polarizability: 25.013422 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 - ADE001141

Other Notes
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