3-chloro-2-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 798788
• Molecular Formular: C10H12ClNSi
• Molecular Mass: 209.74748
• Monoisotopic Mass: 209.0427536
• SMILES: n1c(c(ccc1)Cl)C#C[Si](C)(C)C
• Canonical SMILES: Clc1cccnc1C#C[Si](C)(C)C
• InChI: InChI=1S/C10H12ClNSi/c1-13(2,3)8-6-10-9(11)5-4-7-12-10/h4-5,7H,1-3H3
• InChIKey: VZHFUVHBBXLELQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 216979-76-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6507936
• LogD (pH = 7.4): 3.6509974
• Log P: 3.651
• Molar Refractivity: 48.5705 cm^3
• Polarizability: 22.355585 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%