{6-[4-(trimethylsilyl)phenyl]pyridin-3-yl}methanol

• ChemBase ID: 811692
• Molecular Formular: C15H19NOSi
• Molecular Mass: 257.40296
• Monoisotopic Mass: 257.12359077
• SMILES: C(O)c1cnc(cc1)c1ccc(cc1)[Si](C)(C)C
• Canonical SMILES: OCc1ccc(nc1)c1ccc(cc1)[Si](C)(C)C
• InChI: InChI=1S/C15H19NOSi/c1-18(2,3)14-7-5-13(6-8-14)15-9-4-12(11-17)10-16-15/h4-10,17H,11H2,1-3H3
• InChIKey: LAKVIRUMBUHZSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-[4-(trimethylsilyl)phenyl]pyridin-3-yl}methanol
• IUPAC Traditional name: {6-[4-(trimethylsilyl)phenyl]pyridin-3-yl}methanol
• Synonyms: (6-[4-(TRIMETHYLSILYL)PHENYL]PYRIDIN-3-YL)METHANOL

Database IDs

• CAS Number: 887974-60-9

CALCULATED PROPERTIES

• Acid pKa: 14.70638
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.55378
• LogD (pH = 7.4): 3.5673244
• Log P: 3.5675
• Molar Refractivity: 71.5448 cm^3
• Polarizability: 31.353416 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%