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

• ChemBase ID: 44955
• Molecular Formular: C15H21NO3Si
• Molecular Mass: 291.41764
• Monoisotopic Mass: 291.12907007
• SMILES: c1c(cc2c(n1)cc(o2)CO[Si](C(C)(C)C)(C)C)C=O
• Canonical SMILES: O=Cc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C15H21NO3Si/c1-15(2,3)20(4,5)18-10-12-7-13-14(19-12)6-11(9-17)8-16-13/h6-9H,10H2,1-5H3
• InChIKey: JJPOLIUDVHQDPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1171920-38-9
• MDL Number: MFCD12401662
• PubChem SID: 162049718
• PubChem CID: 46737920

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8804362
• LogD (pH = 7.4): 2.8804991
• Log P: 2.8805
• Molar Refractivity: 75.4957 cm^3
• Polarizability: 32.22479 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C15H21NO3Si

DETAILS

Sigma Aldrich - ADE001160

Other Notes
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