4-(pyridin-2-yl)aniline

• ChemBase ID: 68632
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: Nc1ccc(cc1)c1ccccn1
• Canonical SMILES: Nc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2
• InChIKey: BXYRAPNURYRQSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)aniline
• IUPAC Traditional name: 4-(pyridin-2-yl)aniline
• Synonyms: 4-(2-Pyridyl)aniline

Database IDs

• CAS Number: 18471-73-3
• MDL Number: MFCD04116305
• PubChem SID: 162034362
• PubChem CID: 459518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8954141
• LogD (pH = 7.4): 1.9588528
• Log P: 1.9597231
• Molar Refractivity: 53.3657 cm^3
• Polarizability: 21.622896 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%