5-fluoro-2-hydrazinylpyridine dihydrochloride

• ChemBase ID: 71947
• Molecular Formular: C5H8Cl2FN3
• Molecular Mass: 200.0415232
• Monoisotopic Mass: 199.00793085
• SMILES: c1(cnc(cc1)NN)F.Cl.Cl
• Canonical SMILES: NNc1ccc(cn1)F.Cl.Cl
• InChI: InChI=1S/C5H6FN3.2ClH/c6-4-1-2-5(9-7)8-3-4;;/h1-3H,7H2,(H,8,9);2*1H
• InChIKey: XWXROBUBIQWJKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-hydrazinylpyridine dihydrochloride
• IUPAC Traditional name: 5-fluoro-2-hydrazinylpyridine dihydrochloride
• Synonyms: 5-Fluoro-2-hydrazinopyridine dihydrochloride; 5-Fluoro-2-hydrazinylpyridine dihydrochloride

Database IDs

• CAS Number: 1401426-18-3
• MDL Number: MFCD09999909
• PubChem SID: 162037244
• PubChem CID: 71299244

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.56748825
• LogD (pH = 7.4): 0.8783418
• Log P: 0.88437545
• Molar Refractivity: 34.1377 cm^3
• Polarizability: 11.7144785 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: 95+%