3-(pyridin-2-yloxy)aniline

• ChemBase ID: 31572
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(ncccc1)Oc1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)Oc1ccccn1
• InChI: InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,12H2
• InChIKey: CLQMOPKXIBQKKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-2-yloxy)aniline
• IUPAC Traditional name: 3-(pyridin-2-yloxy)aniline
• Synonyms: 3-(Pyridin-2-yloxy)-phenylamine; 3-(pyridin-2-yloxy)aniline; 3-(Pyridin-2-yloxy)aniline 97%

Database IDs

• CAS Number: 86556-09-4
• MDL Number: MFCD06825506
• PubChem SID: 160994879
• PubChem CID: 13150573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.016459
• LogD (pH = 7.4): 2.0213296
• Log P: 2.021392
• Molar Refractivity: 55.1558 cm^3
• Polarizability: 20.903837 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C; 76-78°C
• Hydrophobicity(logP): 1.516

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%