3-(1-benzofuran-2-yl)-4-methylpyridine

• ChemBase ID: 391466
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: c1(oc2c(c1)cccc2)c1c(ccnc1)C
• Canonical SMILES: Cc1ccncc1c1cc2c(o1)cccc2
• InChI: InChI=1S/C14H11NO/c1-10-6-7-15-9-12(10)14-8-11-4-2-3-5-13(11)16-14/h2-9H,1H3
• InChIKey: WEOYYVADWXYCHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzofuran-2-yl)-4-methylpyridine
• IUPAC Traditional name: 3-(1-benzofuran-2-yl)-4-methylpyridine
• Synonyms: 3-(1-benzofuran-2-yl)-4-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8746493
• LogD (pH = 7.4): 2.9935305
• Log P: 2.9953446
• Molar Refractivity: 62.7971 cm^3
• Polarizability: 26.677877 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.5
• LOG S: -3.72
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1