2-(pyridin-4-yl)aniline

• ChemBase ID: 273083
• Molecular Formular: C11H10N2
• Molecular Mass: 170.2105
• Monoisotopic Mass: 170.08439833
• SMILES: c1(c(N)cccc1)c1ccncc1
• Canonical SMILES: Nc1ccccc1c1ccncc1
• InChI: InChI=1S/C11H10N2/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-8H,12H2
• InChIKey: ODRIUFNOBKDEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yl)aniline
• IUPAC Traditional name: 2-(pyridin-4-yl)aniline
• Synonyms: 2-(pyridin-4-yl)aniline; 2-PYRIDIN-4-YL-PHENYLAMINE

Database IDs

• CAS Number: 106047-18-1
• MDL Number: MFCD06738704
• PubChem SID: 164328993
• PubChem CID: 13546446

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.452897
• LogD (pH = 7.4): 1.5720656
• Log P: 1.5738728
• Molar Refractivity: 53.7377 cm^3
• Polarizability: 21.622225 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 1.486

Product Information

• Purity: 95%; 98%