3-[(6-aminopyridin-3-yl)oxy]benzamide

• ChemBase ID: 265576
• Molecular Formular: C12H11N3O2
• Molecular Mass: 229.23464
• Monoisotopic Mass: 229.08512661
• SMILES: C(=O)(c1cc(Oc2cnc(N)cc2)ccc1)N
• Canonical SMILES: Nc1ccc(cn1)Oc1cccc(c1)C(=O)N
• InChI: InChI=1S/C12H11N3O2/c13-11-5-4-10(7-15-11)17-9-3-1-2-8(6-9)12(14)16/h1-7H,(H2,13,15)(H2,14,16)
• InChIKey: REBNIICOYGOKGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(6-aminopyridin-3-yl)oxy]benzamide
• IUPAC Traditional name: 3-[(6-aminopyridin-3-yl)oxy]benzamide
• Synonyms: 3-[(6-aminopyridin-3-yl)oxy]benzamide

Database IDs

• MDL Number: MFCD11135854
• PubChem SID: 164321486
• PubChem CID: 28412298

CALCULATED PROPERTIES

• Acid pKa: 14.070535
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.31901276
• LogD (pH = 7.4): 0.8569267
• Log P: 0.87203246
• Molar Refractivity: 64.2342 cm^3
• Polarizability: 23.737865 Å^3
• Polar Surface Area: 91.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 0.929

Product Information

• Purity: 95%