3-[(5-aminopyridin-2-yl)oxy]benzamide

• ChemBase ID: 267250
• Molecular Formular: C12H11N3O2
• Molecular Mass: 229.23464
• Monoisotopic Mass: 229.08512661
• SMILES: C(=O)(c1cc(Oc2ncc(N)cc2)ccc1)N
• Canonical SMILES: Nc1ccc(nc1)Oc1cccc(c1)C(=O)N
• InChI: InChI=1S/C12H11N3O2/c13-9-4-5-11(15-7-9)17-10-3-1-2-8(6-10)12(14)16/h1-7H,13H2,(H2,14,16)
• InChIKey: KUPPDXHQCBVXEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(5-aminopyridin-2-yl)oxy]benzamide
• IUPAC Traditional name: 3-[(5-aminopyridin-2-yl)oxy]benzamide
• Synonyms: 3-[(5-aminopyridin-2-yl)oxy]benzamide

Database IDs

• MDL Number: MFCD09933308
• PubChem SID: 164323160
• PubChem CID: 24694791

CALCULATED PROPERTIES

• Acid pKa: 14.042599
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8717203
• LogD (pH = 7.4): 0.8720286
• Log P: 0.87203246
• Molar Refractivity: 64.2342 cm^3
• Polarizability: 23.740591 Å^3
• Polar Surface Area: 91.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195 - 197°C
• Hydrophobicity(logP): 0.929

Product Information

• Purity: 95%