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

• ChemBase ID: 44953
• Molecular Formular: C11H13NO2Si
• Molecular Mass: 219.31192
• Monoisotopic Mass: 219.07155519
• SMILES: c1(cnc2c(c1)oc(c2)[Si](C)(C)C)C=O
• Canonical SMILES: O=Cc1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C11H13NO2Si/c1-15(2,3)11-5-9-10(14-11)4-8(7-13)6-12-9/h4-7H,1-3H3
• InChIKey: UQRIASBUOYWEGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1171920-34-5
• MDL Number: MFCD12922782
• PubChem SID: 162049716
• PubChem CID: 46737918

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6152992
• LogD (pH = 7.4): 2.6153986
• Log P: 2.6154
• Molar Refractivity: 54.2711 cm^3
• Polarizability: 24.170841 Å^3
• Polar Surface Area: 43.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C11H13NO2Si

DETAILS

Sigma Aldrich - ADE001156

Other Notes
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