2-ethoxy-6-(5-phenoxypyridin-3-yl)pyrazine

• ChemBase ID: 796986
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: c1c(nc(cn1)c1cncc(c1)Oc1ccccc1)OCC
• Canonical SMILES: CCOc1cncc(n1)c1cncc(c1)Oc1ccccc1
• InChI: InChI=1S/C17H15N3O2/c1-2-21-17-12-19-11-16(20-17)13-8-15(10-18-9-13)22-14-6-4-3-5-7-14/h3-12H,2H2,1H3
• InChIKey: NZQYBHWPBCWPHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-6-(5-phenoxypyridin-3-yl)pyrazine
• IUPAC Traditional name: 2-ethoxy-6-(5-phenoxypyridin-3-yl)pyrazine
• Synonyms: 2-Ethoxy-6-(5-phenoxypyridin-3-yl)pyrazine

Database IDs

• CAS Number: 1333222-11-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6417372
• LogD (pH = 7.4): 2.6471164
• Log P: 2.6471856
• Molar Refractivity: 82.1176 cm^3
• Polarizability: 33.302513 Å^3
• Polar Surface Area: 57.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%