1-[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]ethan-1-one

• ChemBase ID: 51685
• Molecular Formular: C12H15NO2Si
• Molecular Mass: 233.3385
• Monoisotopic Mass: 233.08720526
• SMILES: c1(cnc2c(c1)oc(c2)[Si](C)(C)C)C(=O)C
• Canonical SMILES: CC(=O)c1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C12H15NO2Si/c1-8(14)9-5-11-10(13-7-9)6-12(15-11)16(2,3)4/h5-7H,1-4H3
• InChIKey: PQSVBIPUESNCDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]ethan-1-one
• IUPAC Traditional name: 1-[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]ethanone
• Synonyms: 1-(2-(Trimethylsilyl)furo[3,2-b]pyridin-6-yl)ethanone; 1-(2-(Trimethylsilyl)furo[3,2-b]pyridin-6-yl)-ethanone; 1-(2-(Trimethylsilyl)furo[3,2-b]pyridin-6-yl)ethanone

Database IDs

• CAS Number: 1228666-31-6
• MDL Number: MFCD16628266
• PubChem SID: 162056448
• PubChem CID: 49761649

CALCULATED PROPERTIES

• Acid pKa: 15.430381
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2483103
• LogD (pH = 7.4): 2.2483988
• Log P: 2.2484
• Molar Refractivity: 58.0899 cm^3
• Polarizability: 26.012897 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): C12H15NO2Si

DETAILS

Sigma Aldrich - ADE001200

Other Notes
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Legal Information
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