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

• ChemBase ID: 801393
• Molecular Formular: C8H8BrNO2
• Molecular Mass: 230.05862
• Monoisotopic Mass: 228.9738405
• SMILES: n1cc(cc(c1)C1OCCO1)Br
• Canonical SMILES: Brc1cncc(c1)C1OCCO1
• InChI: InChI=1S/C8H8BrNO2/c9-7-3-6(4-10-5-7)8-11-1-2-12-8/h3-5,8H,1-2H2
• InChIKey: ZJHMSWWIAWGHIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.5074706
• Log P: 1.5074804
• Molar Refractivity: 46.9031 cm^3
• Polarizability: 18.546873 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5067055

PROPERTIES

Product Information

• Purity: 98%