2-(1,3-dioxolan-2-yl)-6-fluoropyridine

• ChemBase ID: 801682
• Molecular Formular: C8H8FNO2
• Molecular Mass: 169.1530232
• Monoisotopic Mass: 169.05390672
• SMILES: n1c(cccc1F)C1OCCO1
• Canonical SMILES: Fc1cccc(n1)C1OCCO1
• InChI: InChI=1S/C8H8FNO2/c9-7-3-1-2-6(10-7)8-11-4-5-12-8/h1-3,8H,4-5H2
• InChIKey: OHYTXCKVXJMLOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dioxolan-2-yl)-6-fluoropyridine
• IUPAC Traditional name: 2-(1,3-dioxolan-2-yl)-6-fluoropyridine
• Synonyms: 2-(1,3-DIOXOLAN-2-YL)-6-FLUOROPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4323165
• LogD (pH = 7.4): 1.4323165
• Log P: 1.4323165
• Molar Refractivity: 40.1577 cm^3
• Polarizability: 15.367508 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%