5-(1,3-dioxolan-2-yl)-2-fluoropyridine

• ChemBase ID: 801701
• Molecular Formular: C8H8FNO2
• Molecular Mass: 169.1530232
• Monoisotopic Mass: 169.05390672
• SMILES: n1c(ccc(c1)C1OCCO1)F
• Canonical SMILES: Fc1ccc(cn1)C1OCCO1
• InChI: InChI=1S/C8H8FNO2/c9-7-2-1-6(5-10-7)8-11-3-4-12-8/h1-2,5,8H,3-4H2
• InChIKey: QRPNHFFCUZNQRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1,3-dioxolan-2-yl)-2-fluoropyridine
• IUPAC Traditional name: 5-(1,3-dioxolan-2-yl)-2-fluoropyridine
• Synonyms: 5-(1,3-DIOXOLAN-2-YL)-2-FLUOROPYRIDINE

Database IDs

• CAS Number: 1034467-47-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2753603
• LogD (pH = 7.4): 1.2753603
• Log P: 1.2753603
• Molar Refractivity: 40.5114 cm^3
• Polarizability: 15.365839 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%