6-fluoro-4-hydroxyquinoline-3-carbohydrazide

• ChemBase ID: 123029
• Molecular Formular: C10H8FN3O2
• Molecular Mass: 221.1878232
• Monoisotopic Mass: 221.06005473
• SMILES: c1(c(c2c(nc1)ccc(c2)F)O)C(=O)NN
• Canonical SMILES: NNC(=O)c1cnc2c(c1O)cc(cc2)F
• InChI: InChI=1S/C10H8FN3O2/c11-5-1-2-8-6(3-5)9(15)7(4-13-8)10(16)14-12/h1-4H,12H2,(H,13,15)(H,14,16)
• InChIKey: FEFUTRAUIDEEFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-4-hydroxyquinoline-3-carbohydrazide
• IUPAC Traditional name: 6-fluoro-4-hydroxyquinoline-3-carbohydrazide
• Synonyms: 6-fluoro-4-hydroxyquinoline-3-carbohydrazide

Database IDs

• PubChem SID: 162217382
• PubChem CID: 28284449

CALCULATED PROPERTIES

• Acid pKa: 8.795648
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.1736405
• LogD (pH = 7.4): 1.1574439
• Log P: 1.1742017
• Molar Refractivity: 55.7391 cm^3
• Polarizability: 21.501408 Å^3
• Polar Surface Area: 88.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true