6-fluoro-4-hydrazinylquinoline hydrochloride

• ChemBase ID: 98387
• Molecular Formular: C9H9ClFN3
• Molecular Mass: 213.6392632
• Monoisotopic Mass: 213.0469032
• SMILES: n1ccc(c2cc(ccc12)F)NN.Cl
• Canonical SMILES: NNc1ccnc2c1cc(F)cc2.Cl
• InChI: InChI=1S/C9H8FN3.ClH/c10-6-1-2-8-7(5-6)9(13-11)3-4-12-8;/h1-5H,11H2,(H,12,13);1H
• InChIKey: NPCLEVOHKCYIJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02684141
• PubChem SID: 162084825
• PubChem CID: 43865978

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2943356
• LogD (pH = 7.4): 1.6577108
• 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

Physical Property

• Melting Point: >280°C

Safety Information

• Storage Warning: Irritant/Store under Argon