2-chloro-3-(dimethoxymethyl)-4-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 44876
• Molecular Formular: C13H18ClNO2Si
• Molecular Mass: 283.82602
• Monoisotopic Mass: 283.07953303
• SMILES: c1cnc(c(c1C#C[Si](C)(C)C)C(OC)OC)Cl
• Canonical SMILES: COC(c1c(ccnc1Cl)C#C[Si](C)(C)C)OC
• InChI: InChI=1S/C13H18ClNO2Si/c1-16-13(17-2)11-10(6-8-15-12(11)14)7-9-18(3,4)5/h6,8,13H,1-5H3
• InChIKey: DLVPXJJDUWQWIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(dimethoxymethyl)-4-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC Traditional name: 2-chloro-3-(dimethoxymethyl)-4-[2-(trimethylsilyl)ethynyl]pyridine
• Synonyms: 2-Chloro-3-(dimethoxymethyl)-4-((trimethylsilyl)ethynyl)pyridine; 2-Chloro-3-(dimethoxymethyl)-4-((trimethylsilyl)-ethynyl)pyridine; 2-Chloro-3-(dimethoxymethyl)-4-((trimethylsilyl)ethynyl)pyridine

Database IDs

• MDL Number: MFCD12922733
• PubChem SID: 162049639
• PubChem CID: 46737858

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5383952
• LogD (pH = 7.4): 3.5384
• Log P: 3.5384
• Molar Refractivity: 67.352 cm^3
• Polarizability: 29.320795 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C13H18ClNO2Si

DETAILS

Sigma Aldrich - ADE000665

Other Notes
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