5-(1,3-dioxolan-2-yl)pyridin-2-amine

• ChemBase ID: 801713
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: n1c(ccc(c1)C1OCCO1)N
• Canonical SMILES: Nc1ccc(cn1)C1OCCO1
• InChI: InChI=1S/C8H10N2O2/c9-7-2-1-6(5-10-7)8-11-3-4-12-8/h1-2,5,8H,3-4H2,(H2,9,10)
• InChIKey: JJEWGAPCCIBROG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1,3-dioxolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(1,3-dioxolan-2-yl)pyridin-2-amine
• Synonyms: 5-(1,3-DIOXOLAN-2-YL)PYRIDIN-2-AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14382043
• LogD (pH = 7.4): 0.48349878
• Log P: 0.50425935
• Molar Refractivity: 44.2942 cm^3
• Polarizability: 16.766546 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%