2-methoxy-5-[(E)-2-phenylethenyl]pyridine

• ChemBase ID: 541414
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: n1c(ccc(/C=C/c2ccccc2)c1)OC
• Canonical SMILES: COc1ccc(cn1)/C=C/c1ccccc1
• InChI: InChI=1S/C14H13NO/c1-16-14-10-9-13(11-15-14)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7+
• InChIKey: KKRWTOXMNSMCKU-BQYQJAHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-[(E)-2-phenylethenyl]pyridine
• IUPAC Traditional name: 2-methoxy-5-[(E)-2-phenylethenyl]pyridine
• Synonyms: 2-methoxy-5-[(E)-2-phenylvinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5316255
• LogD (pH = 7.4): 3.5321934
• Log P: 3.5322006
• Molar Refractivity: 66.1326 cm^3
• Polarizability: 25.172846 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.76
• LOG S: -3.95
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3