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

• ChemBase ID: 806157
• Molecular Formular: C8H8ClNO2
• Molecular Mass: 185.60762
• Monoisotopic Mass: 185.02435618
• SMILES: n1c(ccc(c1)C1OCCO1)Cl
• Canonical SMILES: Clc1ccc(cn1)C1OCCO1
• InChI: InChI=1S/C8H8ClNO2/c9-7-2-1-6(5-10-7)8-11-3-4-12-8/h1-2,5,8H,3-4H2
• InChIKey: XTBNVXNLXPGCDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5629458
• LogD (pH = 7.4): 1.5629495
• Log P: 1.5629495
• Molar Refractivity: 45.1464 cm^3
• Polarizability: 17.591867 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%