3-bromo-5-[(tert-butyldimethylsilyl)oxy]pyridine

• ChemBase ID: 813817
• Molecular Formular: C11H18BrNOSi
• Molecular Mass: 288.25622
• Monoisotopic Mass: 287.03410273
• SMILES: n1cc(cc(c1)O[Si](C)(C)C(C)(C)C)Br
• Canonical SMILES: Brc1cncc(c1)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C11H18BrNOSi/c1-11(2,3)15(4,5)14-10-6-9(12)7-13-8-10/h6-8H,1-5H3
• InChIKey: AYNYMQBKBDZENZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-[(tert-butyldimethylsilyl)oxy]pyridine
• IUPAC Traditional name: 3-bromo-5-[(tert-butyldimethylsilyl)oxy]pyridine
• Synonyms: 3-bromo-5-(tert-butyldimethylsilyloxy)pyridine

Database IDs

• CAS Number: 1060813-02-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.457751
• LogD (pH = 7.4): 3.459774
• Log P: 3.4598
• Molar Refractivity: 63.3529 cm^3
• Polarizability: 26.860235 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%