5-(pyrazin-2-yl)quinoline

• ChemBase ID: 524028
• Molecular Formular: C13H9N3
• Molecular Mass: 207.23066
• Monoisotopic Mass: 207.0796473
• SMILES: c1(c2c(nccc2)ccc1)c1nccnc1
• Canonical SMILES: c1ncc(nc1)c1cccc2c1cccn2
• InChI: InChI=1S/C13H9N3/c1-3-11(13-9-14-7-8-16-13)10-4-2-6-15-12(10)5-1/h1-9H
• InChIKey: ZFKNWNPLGCZZHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyrazin-2-yl)quinoline
• IUPAC Traditional name: 5-(pyrazin-2-yl)quinoline
• Synonyms: 5-pyrazin-2-ylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7079049
• LogD (pH = 7.4): 1.7283635
• Log P: 1.7286313
• Molar Refractivity: 60.4297 cm^3
• Polarizability: 26.259604 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.67
• LOG S: -2.14
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 1