5-[3-(trimethylsilyl)phenyl]pyridine-3-carbaldehyde

• ChemBase ID: 811586
• Molecular Formular: C15H17NOSi
• Molecular Mass: 255.38708
• Monoisotopic Mass: 255.1079407
• SMILES: n1cc(cc(c1)c1cc(ccc1)[Si](C)(C)C)C=O
• Canonical SMILES: O=Cc1cncc(c1)c1cccc(c1)[Si](C)(C)C
• InChI: InChI=1S/C15H17NOSi/c1-18(2,3)15-6-4-5-13(8-15)14-7-12(11-17)9-16-10-14/h4-11H,1-3H3
• InChIKey: CLINQKXUAZAFJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(trimethylsilyl)phenyl]pyridine-3-carbaldehyde
• IUPAC Traditional name: 5-[3-(trimethylsilyl)phenyl]pyridine-3-carbaldehyde
• Synonyms: 5-[3-(TRIMETHYLSILYL)PHENYL]PYRIDINE-3-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6752605
• LogD (pH = 7.4): 3.67915
• Log P: 3.6792
• Molar Refractivity: 71.6849 cm^3
• Polarizability: 30.787739 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%