6-bromo-2-methylquinoline-4-carbohydrazide

• ChemBase ID: 310762
• Molecular Formular: C11H10BrN3O
• Molecular Mass: 280.1206
• Monoisotopic Mass: 279.00072396
• SMILES: c1(c2c(nc(c1)C)ccc(c2)Br)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(C)nc2c1cc(Br)cc2
• InChI: InChI=1S/C11H10BrN3O/c1-6-4-9(11(16)15-13)8-5-7(12)2-3-10(8)14-6/h2-5H,13H2,1H3,(H,15,16)
• InChIKey: LEBFGWOGYMQWIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methylquinoline-4-carbohydrazide
• IUPAC Traditional name: 6-bromo-2-methylquinoline-4-carbohydrazide
• Synonyms: 6-bromo-2-methylquinoline-4-carbohydrazide

Database IDs

• CAS Number: 215778-63-5
• MDL Number: MFCD00115250

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5840435
• LogD (pH = 7.4): 1.5851734
• Log P: 1.5851879
• Molar Refractivity: 65.7561 cm^3
• Polarizability: 25.70593 Å^3
• Polar Surface Area: 68.01 Å^2