4-(pyridin-2-yloxy)aniline

• ChemBase ID: 271746
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(ncccc1)Oc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)Oc1ccccn1
• InChI: InChI=1S/C11H10N2O/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H,12H2
• InChIKey: RTGVTQOURHFJEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06825428
• PubChem SID: 164327656
• PubChem CID: 13150574

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0057774
• LogD (pH = 7.4): 2.021192
• Log P: 2.021392
• Molar Refractivity: 55.1558 cm^3
• Polarizability: 20.902721 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 1.516

Product Information

• Purity: 95%