{5-[2-(trimethylsilyl)ethynyl]pyridin-3-yl}boronic acid

• ChemBase ID: 813962
• Molecular Formular: C10H14BNO2Si
• Molecular Mass: 219.12016
• Monoisotopic Mass: 219.08868563
• SMILES: B(O)(O)c1cncc(c1)C#C[Si](C)(C)C
• Canonical SMILES: OB(c1cncc(c1)C#C[Si](C)(C)C)O
• InChI: InChI=1S/C10H14BNO2Si/c1-15(2,3)5-4-9-6-10(11(13)14)8-12-7-9/h6-8,13-14H,1-3H3
• InChIKey: JSZRPSQCJHLBCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[2-(trimethylsilyl)ethynyl]pyridin-3-yl}boronic acid
• IUPAC Traditional name: 5-[2-(trimethylsilyl)ethynyl]pyridin-3-ylboronic acid
• Synonyms: 5-((trimethylsilyl)ethynyl)pyridin-3-ylboronic acid

CALCULATED PROPERTIES

• Acid pKa: 8.330422
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.325277
• LogD (pH = 7.4): 2.2791257
• Log P: 2.3271
• Molar Refractivity: 48.6832 cm^3
• Polarizability: 23.670153 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%