8-fluoro-4-hydrazinylquinoline

• ChemBase ID: 816061
• Molecular Formular: C9H8FN3
• Molecular Mass: 177.1783232
• Monoisotopic Mass: 177.07022549
• SMILES: c1c(c2c(cc1)c(ccn2)NN)F
• Canonical SMILES: NNc1ccnc2c1cccc2F
• InChI: InChI=1S/C9H8FN3/c10-7-3-1-2-6-8(13-11)4-5-12-9(6)7/h1-5H,11H2,(H,12,13)
• InChIKey: YOBSSNXGCCGRTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-4-hydrazinylquinoline
• IUPAC Traditional name: 8-fluoro-4-hydrazinylquinoline
• Synonyms: 8-FLUORO-4-HYDRAZINOQUINOLINE

Database IDs

• CAS Number: 49611-99-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4253974
• LogD (pH = 7.4): 1.6612543
• Log P: 1.665245
• Molar Refractivity: 49.9024 cm^3
• Polarizability: 19.150238 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%