2-(pyridin-2-yloxy)aniline

• ChemBase ID: 275632
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: O(c1c(N)cccc1)c1ncccc1
• Canonical SMILES: Nc1ccccc1Oc1ccccn1
• InChI: InChI=1S/C11H10N2O/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2
• InChIKey: KZBGKJVZZVOMLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11650924
• PubChem SID: 164331542
• PubChem CID: 13150572

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0204427
• LogD (pH = 7.4): 2.0213802
• Log P: 2.021392
• Molar Refractivity: 55.1558 cm^3
• Polarizability: 20.904867 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 1.696

Product Information

• Purity: 95%