2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-ol

• ChemBase ID: 44962
• Molecular Formular: C14H21NO3Si
• Molecular Mass: 279.40694
• Monoisotopic Mass: 279.12907007
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)O
• Canonical SMILES: Oc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H21NO3Si/c1-14(2,3)19(4,5)17-9-11-7-12-13(18-11)6-10(16)8-15-12/h6-8,16H,9H2,1-5H3
• InChIKey: PVBHQEAUBNFSDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1171920-47-0
• MDL Number: MFCD12401664
• PubChem SID: 162049725
• PubChem CID: 46737927

CALCULATED PROPERTIES

• Acid pKa: 8.8907795
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9195807
• LogD (pH = 7.4): 2.9074287
• Log P: 2.9206
• Molar Refractivity: 70.8926 cm^3
• Polarizability: 30.930614 Å^3
• Polar Surface Area: 55.49 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): C14H21NO3Si

DETAILS

Sigma Aldrich - ADE001167

Other Notes
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