6-chloro-4-hydrazinyl-2-methylquinoline

• ChemBase ID: 816063
• Molecular Formular: C10H10ClN3
• Molecular Mass: 207.6595
• Monoisotopic Mass: 207.05632502
• SMILES: c1cc2c(cc1Cl)c(cc(n2)C)NN
• Canonical SMILES: NNc1cc(C)nc2c1cc(Cl)cc2
• InChI: InChI=1S/C10H10ClN3/c1-6-4-10(14-12)8-5-7(11)2-3-9(8)13-6/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: TUDJVUZNZCVPTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-hydrazinyl-2-methylquinoline
• IUPAC Traditional name: 6-chloro-4-hydrazinyl-2-methylquinoline
• Synonyms: 6-CHLORO-4-HYDRAZINO-2-METHYL-QUINOLINE

Database IDs

• CAS Number: 203626-35-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4198406
• LogD (pH = 7.4): 2.2377954
• Log P: 2.257958
• Molar Refractivity: 59.0823 cm^3
• Polarizability: 23.12619 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%