6-chloro-2-hydrazinyl-4-methylquinoline

• ChemBase ID: 241296
• Molecular Formular: C10H10ClN3
• Molecular Mass: 207.6595
• Monoisotopic Mass: 207.05632502
• SMILES: n1c2c(c(cc1NN)C)cc(cc2)Cl
• Canonical SMILES: NNc1cc(C)c2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C10H10ClN3/c1-6-4-10(14-12)13-9-3-2-7(11)5-8(6)9/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: DMGKVZOWCYLRCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-hydrazinyl-4-methylquinoline
• IUPAC Traditional name: 6-chloro-2-hydrazinyl-4-methylquinoline
• Synonyms: 6-chloro-2-hydrazino-4-methylquinoline

Database IDs

• CAS Number: 21703-54-8
• MDL Number: MFCD06254046
• PubChem SID: 164297206
• PubChem CID: 2565934

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5667415
• LogD (pH = 7.4): 2.8142493
• Log P: 3.2344668
• Molar Refractivity: 59.8455 cm^3
• Polarizability: 23.1272 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.434

Product Information

• Purity: 95%