4-(2,3-dihydro-1-benzofuran-7-yl)-2-methoxypyridine-3-carbonitrile

• ChemBase ID: 552199
• Molecular Formular: C15H12N2O2
• Molecular Mass: 252.26798
• Monoisotopic Mass: 252.08987763
• SMILES: c1(c(c2c3OCCc3ccc2)ccnc1OC)C#N
• Canonical SMILES: N#Cc1c(OC)nccc1c1cccc2c1OCC2
• InChI: InChI=1S/C15H12N2O2/c1-18-15-13(9-16)11(5-7-17-15)12-4-2-3-10-6-8-19-14(10)12/h2-5,7H,6,8H2,1H3
• InChIKey: IZAPZQNMOVHBJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1-benzofuran-7-yl)-2-methoxypyridine-3-carbonitrile
• IUPAC Traditional name: 4-(2,3-dihydro-1-benzofuran-7-yl)-2-methoxypyridine-3-carbonitrile
• Synonyms: 4-(2,3-dihydro-1-benzofuran-7-yl)-2-methoxynicotinonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.577898
• LogD (pH = 7.4): 2.5778985
• Log P: 2.5778985
• Molar Refractivity: 71.3084 cm^3
• Polarizability: 28.29664 Å^3
• Polar Surface Area: 55.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.6
• LOG S: -3.53
• Polar Surface Area: 55.14 Å^2
• Rotatable Bonds: 2