2-(trimethylsilyl)furo[3,2-b]pyridin-6-ol

• ChemBase ID: 44979
• Molecular Formular: C10H13NO2Si
• Molecular Mass: 207.30122
• Monoisotopic Mass: 207.07155519
• SMILES: c1(cnc2c(c1)oc(c2)[Si](C)(C)C)O
• Canonical SMILES: Oc1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C10H13NO2Si/c1-14(2,3)10-5-8-9(13-10)4-7(12)6-11-8/h4-6,12H,1-3H3
• InChIKey: LRACGUBCNVQHAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1186310-90-6
• MDL Number: MFCD12922804
• PubChem SID: 162049742
• PubChem CID: 46737944

CALCULATED PROPERTIES

• Acid pKa: 8.968172
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6540282
• LogD (pH = 7.4): 2.6444387
• Log P: 2.6555
• Molar Refractivity: 49.668 cm^3
• Polarizability: 22.87647 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H13NO2Si

DETAILS

Sigma Aldrich - ADE001184

Other Notes
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