2-phenoxypyridin-3-amine

• ChemBase ID: 120785
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(Oc2ccccc2)ncccc1N
• Canonical SMILES: Nc1cccnc1Oc1ccccc1
• InChI: InChI=1S/C11H10N2O/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-8H,12H2
• InChIKey: GITFEFNVRNPOHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxypyridin-3-amine
• IUPAC Traditional name: 2-phenoxypyridin-3-amine
• Synonyms: 2-phenoxypyridin-3-amine

Database IDs

• CAS Number: 28664-62-2
• MDL Number: MFCD09738154
• PubChem SID: 162215138
• PubChem CID: 16791359

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.021098
• LogD (pH = 7.4): 2.0213885
• Log P: 2.021392
• Molar Refractivity: 55.1558 cm^3
• Polarizability: 20.90507 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 2.596

Product Information

• Purity: 95%