N-hydroxyquinoline-2-carboxamide

• ChemBase ID: 285711
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: n1c(C(=O)NO)ccc2c1cccc2
• Canonical SMILES: ONC(=O)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)
• InChIKey: RLBGLCXAYWCPDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxyquinoline-2-carboxamide
• IUPAC Traditional name: N-hydroxyquinoline-2-carboxamide
• Synonyms: N-hydroxyquinoline-2-carboxamide

Database IDs

• MDL Number: MFCD00778525
• PubChem SID: 180671242
• PubChem CID: 148031

CALCULATED PROPERTIES

• Acid pKa: 8.948253
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3640537
• LogD (pH = 7.4): 1.3521476
• Log P: 1.3642094
• Molar Refractivity: 50.4503 cm^3
• Polarizability: 20.39622 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.236

Product Information

• Purity: 95%