2-(pyridin-4-yloxy)aniline

• ChemBase ID: 272998
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(Oc2ccncc2)c(N)cccc1
• Canonical SMILES: Nc1ccccc1Oc1ccncc1
• InChI: InChI=1S/C11H10N2O/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-8H,12H2
• InChIKey: NIRPDVZBDYXCSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00956807
• PubChem SID: 164328908
• PubChem CID: 3330580

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96821374
• LogD (pH = 7.4): 1.4141263
• Log P: 1.4269346
• Molar Refractivity: 54.8423 cm^3
• Polarizability: 20.8994 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98 - 100°C
• Hydrophobicity(logP): 1.696

Product Information

• Purity: 95%