3-bromo-5-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 814651
• Molecular Formular: C10H12BrNSi
• Molecular Mass: 254.19848
• Monoisotopic Mass: 252.99223792
• SMILES: n1cc(cc(c1)C#C[Si](C)(C)C)Br
• Canonical SMILES: Brc1cncc(c1)C#C[Si](C)(C)C
• InChI: InChI=1S/C10H12BrNSi/c1-13(2,3)5-4-9-6-10(11)8-12-7-9/h6-8H,1-3H3
• InChIKey: AATLZBJLZXJCKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC Traditional name: 3-bromo-5-[2-(trimethylsilyl)ethynyl]pyridine
• Synonyms: 3-bromo-5-((trimethylsilyl)ethynyl)pyridine

Database IDs

• CAS Number: 639011-64-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5252862
• LogD (pH = 7.4): 3.5256948
• Log P: 3.5257
• Molar Refractivity: 51.7605 cm^3
• Polarizability: 23.21742 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%