5-bromo-2-(1,3-dioxolan-2-yl)pyridine

• ChemBase ID: 810681
• Molecular Formular: C8H8BrNO2
• Molecular Mass: 230.05862
• Monoisotopic Mass: 228.9738405
• SMILES: n1c(ccc(c1)Br)C1OCCO1
• Canonical SMILES: Brc1ccc(nc1)C1OCCO1
• InChI: InChI=1S/C8H8BrNO2/c9-6-1-2-7(10-5-6)8-11-3-4-12-8/h1-2,5,8H,3-4H2
• InChIKey: VYCADPDVDFTZFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(1,3-dioxolan-2-yl)pyridine
• IUPAC Traditional name: 5-bromo-2-(1,3-dioxolan-2-yl)pyridine
• Synonyms: 5-BROMO-2-(1,3-DIOXOLAN-2-YL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6644176
• LogD (pH = 7.4): 1.6644362
• Log P: 1.6644365
• Molar Refractivity: 46.5494 cm^3
• Polarizability: 18.548563 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%