6-fluoro-4-hydrazinylquinoline

• ChemBase ID: 99512
• Molecular Formular: C9H8FN3
• Molecular Mass: 177.1783232
• Monoisotopic Mass: 177.07022549
• SMILES: n1ccc(c2cc(ccc12)F)NN
• Canonical SMILES: NNc1ccnc2c1cc(F)cc2
• InChI: InChI=1S/C9H8FN3/c10-6-1-2-8-7(5-6)9(13-11)3-4-12-8/h1-5H,11H2,(H,12,13)
• InChIKey: IHJGCOWFOYAATP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-4-hydrazinylquinoline
• IUPAC Traditional name: 6-fluoro-4-hydrazinylquinoline
• Synonyms: 6-Fluoro-4-hydrazinoquinoline

Database IDs

• CAS Number: 49612-09-1
• MDL Number: MFCD00272476
• PubChem SID: 162085776
• PubChem CID: 17039615

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2116117
• LogD (pH = 7.4): 1.6576765
• Log P: 1.665245
• Molar Refractivity: 49.9024 cm^3
• Polarizability: 19.144005 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%