2-hydroxyquinoline-4-carbohydrazide

• ChemBase ID: 60271
• Molecular Formular: C10H9N3O2
• Molecular Mass: 203.19736
• Monoisotopic Mass: 203.06947654
• SMILES: c1(C(=O)NN)c2c(nc(c1)O)cccc2
• Canonical SMILES: NNC(=O)c1cc(O)nc2c1cccc2
• InChI: InChI=1S/C10H9N3O2/c11-13-10(15)7-5-9(14)12-8-4-2-1-3-6(7)8/h1-5H,11H2,(H,12,14)(H,13,15)
• InChIKey: UWVVABCGQLHBQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxyquinoline-4-carbohydrazide
• IUPAC Traditional name: 2-hydroxyquinoline-4-carbohydrazide
• Synonyms: 2-Hydroxyquinoline-4-carbohydrazide

Database IDs

• MDL Number: MFCD00681082
• PubChem SID: 162026012
• PubChem CID: 676699

CALCULATED PROPERTIES

• Acid pKa: 10.779308
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.9751979
• LogD (pH = 7.4): 0.9757687
• Log P: 0.9759573
• Molar Refractivity: 55.8362 cm^3
• Polarizability: 21.807583 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false