2-bromo-6-(1,3-dioxolan-2-yl)pyridine

• ChemBase ID: 247803
• Molecular Formular: C8H8BrNO2
• Molecular Mass: 230.05862
• Monoisotopic Mass: 228.9738405
• SMILES: n1c(C2OCCO2)cccc1Br
• Canonical SMILES: Brc1cccc(n1)C1OCCO1
• InChI: InChI=1S/C8H8BrNO2/c9-7-3-1-2-6(10-7)8-11-4-5-12-8/h1-3,8H,4-5H2
• InChIKey: SYSRNUAOBOQPPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(1,3-dioxolan-2-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(1,3-dioxolan-2-yl)pyridine
• Synonyms: 2-bromo-6-(1,3-dioxolan-2-yl)pyridine

Database IDs

• MDL Number: MFCD06209635
• PubChem SID: 164303713
• PubChem CID: 118613

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8699583
• LogD (pH = 7.4): 1.8699585
• Log P: 1.8699585
• Molar Refractivity: 47.3916 cm^3
• Polarizability: 18.59644 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.91

Product Information

• Purity: 95%