6-[4-(trimethylsilyl)phenyl]pyridine-3-carbaldehyde

• ChemBase ID: 812155
• Molecular Formular: C15H17NOSi
• Molecular Mass: 255.38708
• Monoisotopic Mass: 255.1079407
• SMILES: n1cc(ccc1c1ccc(cc1)[Si](C)(C)C)C=O
• Canonical SMILES: O=Cc1ccc(nc1)c1ccc(cc1)[Si](C)(C)C
• InChI: InChI=1S/C15H17NOSi/c1-18(2,3)14-7-5-13(6-8-14)15-9-4-12(11-17)10-16-15/h4-11H,1-3H3
• InChIKey: QJFHBBBQVRXHEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(trimethylsilyl)phenyl]pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-[4-(trimethylsilyl)phenyl]pyridine-3-carbaldehyde
• Synonyms: 6-(4-TRIMETHYLSILANYL-PHENYL)-PYRIDINE-3-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.075856
• LogD (pH = 7.4): 4.078269
• Log P: 4.0783
• Molar Refractivity: 71.3129 cm^3
• Polarizability: 30.789696 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%