6-[3-(trimethylsilyl)phenyl]pyridine-2-carboxylic acid

• ChemBase ID: 811523
• Molecular Formular: C15H17NO2Si
• Molecular Mass: 271.38648
• Monoisotopic Mass: 271.10285532
• SMILES: n1c(cccc1c1cc(ccc1)[Si](C)(C)C)C(=O)O
• Canonical SMILES: OC(=O)c1cccc(n1)c1cccc(c1)[Si](C)(C)C
• InChI: InChI=1S/C15H17NO2Si/c1-19(2,3)12-7-4-6-11(10-12)13-8-5-9-14(16-13)15(17)18/h4-10H,1-3H3,(H,17,18)
• InChIKey: UXBVUXVZSWHEFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(trimethylsilyl)phenyl]pyridine-2-carboxylic acid
• IUPAC Traditional name: 6-[3-(trimethylsilyl)phenyl]pyridine-2-carboxylic acid
• Synonyms: 6-[3-(TRIMETHYLSILYL)PHENYL]PYRIDINE-2-CARBOXYLIC ACID

CALCULATED PROPERTIES

• Acid pKa: 0.94731224
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3689857
• LogD (pH = 7.4): 0.90043
• Log P: 3.0444474
• Molar Refractivity: 71.6131 cm^3
• Polarizability: 31.18123 Å^3
• Polar Surface Area: 50.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%