3-(pyridin-2-yl)aniline

• ChemBase ID: 795781
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: Nc1cc(ccc1)c1ncccc1
• Canonical SMILES: Nc1cccc(c1)c1ccccn1
• InChI: InChI=1S/C11H10N2/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,12H2
• InChIKey: YLNMGMIEOWFPRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-2-yl)aniline
• IUPAC Traditional name: 3-(pyridin-2-yl)aniline
• Synonyms: 3-(Pyridin-2-yl)aniline

Database IDs

• CAS Number: 15889-32-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9182556
• LogD (pH = 7.4): 1.9591802
• Log P: 1.9597231
• Molar Refractivity: 53.3657 cm^3
• Polarizability: 21.627312 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%