5-bromo-2-(trimethylsilyl)pyridine

• ChemBase ID: 65387
• Molecular Formular: C8H12BrNSi
• Molecular Mass: 230.17708
• Monoisotopic Mass: 228.99223792
• SMILES: c1(ccc(nc1)[Si](C)(C)C)Br
• Canonical SMILES: Brc1ccc(nc1)[Si](C)(C)C
• InChI: InChI=1S/C8H12BrNSi/c1-11(2,3)8-5-4-7(9)6-10-8/h4-6H,1-3H3
• InChIKey: NLBFMBYDNYNGEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(trimethylsilyl)pyridine
• IUPAC Traditional name: 5-bromo-2-(trimethylsilyl)pyridine
• Synonyms: 5-Bromo-2-(trimethylsilyl)pyridine

Database IDs

• CAS Number: 291312-74-8
• MDL Number: MFCD18839255
• PubChem SID: 162031126
• PubChem CID: 11481617

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8045068
• LogD (pH = 7.4): 3.8096342
• Log P: 3.8097
• Molar Refractivity: 47.901 cm^3
• Polarizability: 20.658194 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%