6-[4-(trimethylsilyl)phenyl]pyridine-3-carboxylic acid

• ChemBase ID: 811660
• Molecular Formular: C15H17NO2Si
• Molecular Mass: 271.38648
• Monoisotopic Mass: 271.10285532
• SMILES: n1cc(ccc1c1ccc(cc1)[Si](C)(C)C)C(=O)O
• Canonical SMILES: OC(=O)c1ccc(nc1)c1ccc(cc1)[Si](C)(C)C
• InChI: InChI=1S/C15H17NO2Si/c1-19(2,3)13-7-4-11(5-8-13)14-9-6-12(10-16-14)15(17)18/h4-10H,1-3H3,(H,17,18)
• InChIKey: CXYVHTUYCXXSSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(trimethylsilyl)phenyl]pyridine-3-carboxylic acid
• IUPAC Traditional name: 6-[4-(trimethylsilyl)phenyl]pyridine-3-carboxylic acid
• Synonyms: 6-[4-(TRIMETHYLSILYL)PHENYL]PYRIDINE-3-CARBOXYLIC ACID

CALCULATED PROPERTIES

• Acid pKa: 3.9227095
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1540236
• LogD (pH = 7.4): 0.5499832
• Log P: 3.5795846
• Molar Refractivity: 71.9851 cm^3
• Polarizability: 31.175594 Å^3
• Polar Surface Area: 50.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%