2-[(5-chloro-7-iodoquinolin-8-yl)oxy]acetohydrazide

• ChemBase ID: 232230
• Molecular Formular: C11H9ClIN3O2
• Molecular Mass: 377.56553
• Monoisotopic Mass: 376.94280222
• SMILES: c1(c2c(c(cc1I)Cl)cccn2)OCC(=O)NN
• Canonical SMILES: NNC(=O)COc1c(I)cc(c2c1nccc2)Cl
• InChI: InChI=1S/C11H9ClIN3O2/c12-7-4-8(13)11(18-5-9(17)16-14)10-6(7)2-1-3-15-10/h1-4H,5,14H2,(H,16,17)
• InChIKey: CHXORLLNRDHFGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-chloro-7-iodoquinolin-8-yl)oxy]acetohydrazide
• IUPAC Traditional name: 2-[(5-chloro-7-iodoquinolin-8-yl)oxy]acetohydrazide
• Synonyms: (5-Chloro-7-iodo-quinolin-8-yloxy)-acetic acid hydrazide

Database IDs

• CAS Number: 73511-41-8
• MDL Number: MFCD04621446
• PubChem SID: 164288140
• PubChem CID: 2393445

CALCULATED PROPERTIES

• Acid pKa: 10.835811
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8793343
• LogD (pH = 7.4): 1.8806214
• Log P: 1.8807833
• Molar Refractivity: 77.0007 cm^3
• Polarizability: 31.029558 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.086

Product Information

• Purity: 95%