4-[(E)-2-(pyridin-2-yl)ethenyl]aniline

• ChemBase ID: 310354
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: C(=C\c1ccc(N)cc1)/c1ncccc1
• Canonical SMILES: Nc1ccc(cc1)/C=C/c1ccccn1
• InChI: InChI=1S/C13H12N2/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13/h1-10H,14H2/b9-6+
• InChIKey: NAUWKJSESHOJJL-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-(pyridin-2-yl)ethenyl]aniline
• IUPAC Traditional name: 4-[(E)-2-(pyridin-2-yl)ethenyl]aniline
• Synonyms: 4-[(E)-2-pyridin-2-ylvinyl]aniline

Database IDs

• MDL Number: MFCD09035565

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4265306
• LogD (pH = 7.4): 2.4991646
• Log P: 2.5001495
• Molar Refractivity: 63.6092 cm^3
• Polarizability: 23.809622 Å^3
• Polar Surface Area: 38.91 Å^2