7-chloro-2-hydrazinyl-3-methylquinoline

• ChemBase ID: 248070
• Molecular Formular: C10H10ClN3
• Molecular Mass: 207.6595
• Monoisotopic Mass: 207.05632502
• SMILES: n1c(c(cc2c1cc(cc2)Cl)C)NN
• Canonical SMILES: NNc1nc2cc(Cl)ccc2cc1C
• InChI: InChI=1S/C10H10ClN3/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)14-12/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: DXOMKWXSCZHPRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2-hydrazinyl-3-methylquinoline
• IUPAC Traditional name: 7-chloro-2-hydrazinyl-3-methylquinoline
• Synonyms: 7-chloro-2-hydrazinyl-3-methylquinoline

Database IDs

• MDL Number: MFCD09897194
• PubChem SID: 164303980
• PubChem CID: 24267327

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7514408
• LogD (pH = 7.4): 3.020353
• Log P: 3.2344668
• Molar Refractivity: 59.8455 cm^3
• Polarizability: 23.131184 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 3.434

Product Information

• Purity: 95%