2-[(5-aminopyridin-2-yl)oxy]benzamide

• ChemBase ID: 260921
• Molecular Formular: C12H11N3O2
• Molecular Mass: 229.23464
• Monoisotopic Mass: 229.08512661
• SMILES: c1(C(=O)N)c(Oc2ncc(N)cc2)cccc1
• Canonical SMILES: Nc1ccc(nc1)Oc1ccccc1C(=O)N
• InChI: InChI=1S/C12H11N3O2/c13-8-5-6-11(15-7-8)17-10-4-2-1-3-9(10)12(14)16/h1-7H,13H2,(H2,14,16)
• InChIKey: JBQNUOAYKJAYRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-aminopyridin-2-yl)oxy]benzamide
• IUPAC Traditional name: 2-[(5-aminopyridin-2-yl)oxy]benzamide
• Synonyms: 2-[(5-aminopyridin-2-yl)oxy]benzamide

Database IDs

• MDL Number: MFCD09804759
• PubChem SID: 164316831
• PubChem CID: 20115309

CALCULATED PROPERTIES

• Acid pKa: 13.438433
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8717422
• LogD (pH = 7.4): 0.8720291
• Log P: 0.87203246
• Molar Refractivity: 64.2342 cm^3
• Polarizability: 23.742756 Å^3
• Polar Surface Area: 91.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.859

Product Information

• Purity: 95%