4-(2-phenylethenyl)pyridine

• ChemBase ID: 88499
• Molecular Formular: C13H11N
• Molecular Mass: 181.23314
• Monoisotopic Mass: 181.08914936
• SMILES: n1ccc(cc1)/C=C/c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C=C/c1ccncc1
• InChI: InChI=1S/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H
• InChIKey: QKHRGPYNTXRMSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylethenyl)pyridine; 4-[(E)-2-phenylethenyl]pyridine
• IUPAC Traditional name: 4-(2-phenylethenyl)pyridine; 4-[(E)-2-phenylethenyl]pyridine
• Synonyms: 4-(2-Phenylethenyl)pyridine; 4-Stilbazole; 4-Styrylpyridine; 4-(2-Phenylvinyl)pyridine; 4-[(E)-2-phenylvinyl]pyridine

Database IDs

• CAS Number: 103-31-1
• MDL Number: MFCD00137749
• PubChem SID: 162075445
• PubChem CID: 641098

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9126964
• LogD (pH = 7.4): 3.092384
• Log P: 3.0954144
• Molar Refractivity: 59.3559 cm^3
• Polarizability: 22.704023 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C; 131°C
• Hydrophobicity(logP): 2.937

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 95%