2-phenoxypyridin-4-amine

• ChemBase ID: 270391
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(cc(N)ccn1)Oc1ccccc1
• Canonical SMILES: Nc1ccnc(c1)Oc1ccccc1
• InChI: InChI=1S/C11H10N2O/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h1-8H,(H2,12,13)
• InChIKey: OFTDZLLFZKPIIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxypyridin-4-amine
• IUPAC Traditional name: 2-phenoxypyridin-4-amine
• Synonyms: 2-phenoxypyridin-4-amine

Database IDs

• MDL Number: MFCD13190645
• PubChem SID: 164326301
• PubChem CID: 603950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5649695
• LogD (pH = 7.4): 2.0106888
• Log P: 2.021392
• Molar Refractivity: 55.1558 cm^3
• Polarizability: 20.899479 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52 - 54°C
• Hydrophobicity(logP): 2.416

Product Information

• Purity: 95%