2-(1-benzofuran-2-yl)-5-chloropyrazine

• ChemBase ID: 773619
• Molecular Formular: C12H7ClN2O
• Molecular Mass: 230.64978
• Monoisotopic Mass: 230.02469053
• SMILES: c1(oc2c(c1)cccc2)c1ncc(nc1)Cl
• Canonical SMILES: Clc1cnc(cn1)c1cc2c(o1)cccc2
• InChI: InChI=1S/C12H7ClN2O/c13-12-7-14-9(6-15-12)11-5-8-3-1-2-4-10(8)16-11/h1-7H
• InChIKey: IKHIZILMFHDXTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzofuran-2-yl)-5-chloropyrazine
• IUPAC Traditional name: 2-(1-benzofuran-2-yl)-5-chloropyrazine
• Synonyms: 2-(1-benzofuran-2-yl)-5-chloropyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.474323
• LogD (pH = 7.4): 2.474323
• Log P: 2.474323
• Molar Refractivity: 61.0931 cm^3
• Polarizability: 25.840538 Å^3
• Polar Surface Area: 38.92 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: 3.32
• LOG S: -3.72
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 1