2-(2-methoxyphenyl)pyridine-3-carbonitrile

• ChemBase ID: 404137
• Molecular Formular: C13H10N2O
• Molecular Mass: 210.2313
• Monoisotopic Mass: 210.07931295
• SMILES: c1(c2c(OC)cccc2)c(C#N)cccn1
• Canonical SMILES: COc1ccccc1c1ncccc1C#N
• InChI: InChI=1S/C13H10N2O/c1-16-12-7-3-2-6-11(12)13-10(9-14)5-4-8-15-13/h2-8H,1H3
• InChIKey: QFDHMBNYVDIYFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)pyridine-3-carbonitrile
• IUPAC Traditional name: 2-(2-methoxyphenyl)pyridine-3-carbonitrile
• Synonyms: 2-(2-methoxyphenyl)nicotinonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4870706
• LogD (pH = 7.4): 2.487074
• Log P: 2.487074
• Molar Refractivity: 60.8501 cm^3
• Polarizability: 24.776348 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.83
• LOG S: -2.56
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 2