6-[(E)-2-phenylethenyl]pyridine-2-carbonitrile

• ChemBase ID: 664799
• Molecular Formular: C14H10N2
• Molecular Mass: 206.2426
• Monoisotopic Mass: 206.08439833
• SMILES: N#Cc1nc(/C=C/c2ccccc2)ccc1
• Canonical SMILES: N#Cc1cccc(n1)/C=C/c1ccccc1
• InChI: InChI=1S/C14H10N2/c15-11-14-8-4-7-13(16-14)10-9-12-5-2-1-3-6-12/h1-10H/b10-9+
• InChIKey: MXYRHLHQIBBEKY-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(E)-2-phenylethenyl]pyridine-2-carbonitrile
• IUPAC Traditional name: 6-[(E)-2-phenylethenyl]pyridine-2-carbonitrile
• Synonyms: 6-[(E)-2-phenylvinyl]pyridine-2-carbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5710168
• LogD (pH = 7.4): 3.571022
• Log P: 3.571022
• Molar Refractivity: 64.2584 cm^3
• Polarizability: 24.499271 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.77
• LOG S: -3.33
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 2