5-[4-(trimethylsilyl)phenyl]pyridine-3-carboxylic acid

• ChemBase ID: 811620
• Molecular Formular: C15H17NO2Si
• Molecular Mass: 271.38648
• Monoisotopic Mass: 271.10285532
• SMILES: n1cc(cc(c1)c1ccc(cc1)[Si](C)(C)C)C(=O)O
• Canonical SMILES: OC(=O)c1cncc(c1)c1ccc(cc1)[Si](C)(C)C
• InChI: InChI=1S/C15H17NO2Si/c1-19(2,3)14-6-4-11(5-7-14)12-8-13(15(17)18)10-16-9-12/h4-10H,1-3H3,(H,17,18)
• InChIKey: CZFUOBSVKZPCPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(trimethylsilyl)phenyl]pyridine-3-carboxylic acid
• IUPAC Traditional name: 5-[4-(trimethylsilyl)phenyl]pyridine-3-carboxylic acid
• Synonyms: 5-[4-(TRIMETHYLSILYL)PHENYL]PYRIDINE-3-CARBOXYLIC ACID

CALCULATED PROPERTIES

• Acid pKa: 3.9791842
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7375866
• LogD (pH = 7.4): 0.14270636
• Log P: 3.1112523
• Molar Refractivity: 72.3571 cm^3
• Polarizability: 31.173824 Å^3
• Polar Surface Area: 50.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%