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

• ChemBase ID: 32485
• Molecular Formular: C11H14BrNOSi
• Molecular Mass: 284.22446
• Monoisotopic Mass: 283.00280261
• SMILES: c1(cnc(c(c1)OC)C#C[Si](C)(C)C)Br
• Canonical SMILES: COc1cc(Br)cnc1C#C[Si](C)(C)C
• InChI: InChI=1S/C11H14BrNOSi/c1-14-11-7-9(12)8-13-10(11)5-6-15(2,3)4/h7-8H,1-4H3
• InChIKey: JLHCBUZCMGZUAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1087659-23-1
• MDL Number: MFCD11857631
• PubChem SID: 160995792
• PubChem CID: 45361758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6719887
• LogD (pH = 7.4): 3.6720986
• Log P: 3.6721
• Molar Refractivity: 57.8517 cm^3
• Polarizability: 25.778679 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C11H14BrNOSi

DETAILS

Sigma Aldrich - ADE000490

Other Notes
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