3-(pyridin-4-yloxy)aniline

• ChemBase ID: 273771
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1c(Oc2ccncc2)cccc1N
• Canonical SMILES: Nc1cccc(c1)Oc1ccncc1
• InChI: InChI=1S/C11H10N2O/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-8H,12H2
• InChIKey: CMKRVXYQYUODSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-4-yloxy)aniline
• IUPAC Traditional name: 3-(pyridin-4-yloxy)aniline
• Synonyms: 3-(pyridin-4-yloxy)aniline

Database IDs

• MDL Number: MFCD06825512
• PubChem SID: 164329681
• PubChem CID: 11521202

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.95286375
• LogD (pH = 7.4): 1.4134269
• Log P: 1.4269346
• Molar Refractivity: 54.8423 cm^3
• Polarizability: 20.89841 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 1.516

Product Information

• Purity: 95%