2-methoxy-4-(2-methoxypyridin-3-yl)pyridine-3-carbonitrile

• ChemBase ID: 753110
• Molecular Formular: C13H11N3O2
• Molecular Mass: 241.24534
• Monoisotopic Mass: 241.08512661
• SMILES: c1(c(c2c(nccc2)OC)ccnc1OC)C#N
• Canonical SMILES: COc1ncccc1c1ccnc(c1C#N)OC
• InChI: InChI=1S/C13H11N3O2/c1-17-12-10(4-3-6-15-12)9-5-7-16-13(18-2)11(9)8-14/h3-7H,1-2H3
• InChIKey: MGFATFQHOAVKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(2-methoxypyridin-3-yl)pyridine-3-carbonitrile
• IUPAC Traditional name: 2-methoxy-4-(2-methoxypyridin-3-yl)pyridine-3-carbonitrile
• Synonyms: 2,2'-dimethoxy-3,4'-bipyridine-3'-carbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9142742
• LogD (pH = 7.4): 1.9147885
• Log P: 1.914795
• Molar Refractivity: 66.1554 cm^3
• Polarizability: 26.36457 Å^3
• Polar Surface Area: 68.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.99
• LOG S: -2.92
• Polar Surface Area: 68.03 Å^2
• Rotatable Bonds: 3