5-phenoxypyridin-2-amine

• ChemBase ID: 270311
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1c(N)ccc(Oc2ccccc2)c1
• Canonical SMILES: Nc1ccc(cn1)Oc1ccccc1
• InChI: InChI=1S/C11H10N2O/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8H,(H2,12,13)
• InChIKey: YSBJQFDQHNMAMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenoxypyridin-2-amine
• IUPAC Traditional name: 5-phenoxypyridin-2-amine
• Synonyms: 5-phenoxypyridin-2-amine

Database IDs

• MDL Number: MFCD11135788
• PubChem SID: 164326221
• PubChem CID: 22179454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4682161
• LogD (pH = 7.4): 2.0062783
• Log P: 2.021392
• Molar Refractivity: 55.1558 cm^3
• Polarizability: 20.90043 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67 - 69°C
• Hydrophobicity(logP): 2.416

Product Information

• Purity: 95%