2-hydrazinylquinolin-8-ol

• ChemBase ID: 246750
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: n1c2c(O)cccc2ccc1NN
• Canonical SMILES: NNc1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C9H9N3O/c10-12-8-5-4-6-2-1-3-7(13)9(6)11-8/h1-5,13H,10H2,(H,11,12)
• InChIKey: FKQJACHAEBSDHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylquinolin-8-ol
• IUPAC Traditional name: 2-hydrazinylquinolin-8-ol
• Synonyms: 2-hydrazinylquinolin-8-ol

Database IDs

• MDL Number: MFCD00552680
• PubChem SID: 164302660
• PubChem CID: 266491

CALCULATED PROPERTIES

• Acid pKa: 7.40904
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.06560844
• LogD (pH = 7.4): 1.0272577
• Log P: 1.2424747
• Molar Refractivity: 51.9804 cm^3
• Polarizability: 20.120607 Å^3
• Polar Surface Area: 71.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): 2.172

Product Information

• Purity: 95%