5-chloro-3-fluoro-2-hydrazinylpyridine

• ChemBase ID: 94581
• Molecular Formular: C5H5ClFN3
• Molecular Mass: 161.5647032
• Monoisotopic Mass: 161.01560308
• SMILES: n1c(c(cc(c1)Cl)F)NN
• Canonical SMILES: NNc1ncc(cc1F)Cl
• InChI: InChI=1S/C5H5ClFN3/c6-3-1-4(7)5(10-8)9-2-3/h1-2H,8H2,(H,9,10)
• InChIKey: TZBBCECFLONWDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-fluoro-2-hydrazinylpyridine
• IUPAC Traditional name: 5-chloro-3-fluoro-2-hydrazinylpyridine
• Synonyms: 5-Chloro-3-fluoro-2-hydrazinylpyridine; 5-Chloro-3-fluoro-2-hydrazinopyridine; 5-Chloro-3-fluoropyridin-2ylhydrazine

Database IDs

• CAS Number: 248255-70-1
• MDL Number: MFCD09972183
• PubChem SID: 162081235
• PubChem CID: 22619674

CALCULATED PROPERTIES

• Acid pKa: 16.870037
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4722776
• LogD (pH = 7.4): 1.4882131
• Log P: 1.4884201
• Molar Refractivity: 38.9425 cm^3
• Polarizability: 13.689125 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Store Cold

Product Information

• Purity: 95+%