2,5-dichloro-3-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 65624
• Molecular Formular: C10H11Cl2NSi
• Molecular Mass: 244.19254
• Monoisotopic Mass: 243.00378125
• SMILES: c1(cnc(c(c1)C#C[Si](C)(C)C)Cl)Cl
• Canonical SMILES: Clc1ncc(cc1C#C[Si](C)(C)C)Cl
• InChI: InChI=1S/C10H11Cl2NSi/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12/h6-7H,1-3H3
• InChIKey: DQOWNDLHIUKVTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20487119
• PubChem SID: 162031363
• PubChem CID: 71299119

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1405997
• LogD (pH = 7.4): 4.1406
• Log P: 4.1406
• Molar Refractivity: 54.8086 cm^3
• Polarizability: 24.309206 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%