2-{[(tert-butyldimethylsilyl)oxy]methyl}-6-iodofuro[3,2-b]pyridine

• ChemBase ID: 44950
• Molecular Formular: C14H20INO2Si
• Molecular Mass: 389.30407
• Monoisotopic Mass: 389.03080342
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)I
• Canonical SMILES: Ic1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H20INO2Si/c1-14(2,3)19(4,5)17-9-11-7-12-13(18-11)6-10(15)8-16-12/h6-8H,9H2,1-5H3
• InChIKey: JTVGUIFTDJPUDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(tert-butyldimethylsilyl)oxy]methyl}-6-iodofuro[3,2-b]pyridine
• IUPAC Traditional name: 2-{[(tert-butyldimethylsilyl)oxy]methyl}-6-iodofuro[3,2-b]pyridine
• Synonyms: 2-((tert-Butyldimethylsilyloxy)methyl)-6-iodofuro[3,2-b]pyridine; 2-((tert-Butyldimethylsilyloxy)methyl)-6-iodofuro[3,2-b]pyridine

Database IDs

• CAS Number: 1171920-30-1
• MDL Number: MFCD12401659
• PubChem SID: 162049713
• PubChem CID: 46737915

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.195578
• LogD (pH = 7.4): 4.1955996
• Log P: 4.1956
• Molar Refractivity: 82.2742 cm^3
• Polarizability: 35.37354 Å^3
• Polar Surface Area: 35.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C14H20INO2Si

DETAILS

Sigma Aldrich - ADE001152

Other Notes
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