3-fluoro-2-hydrazinylpyridine

• ChemBase ID: 94555
• Molecular Formular: C5H6FN3
• Molecular Mass: 127.1196432
• Monoisotopic Mass: 127.05457543
• SMILES: n1c(c(ccc1)F)NN
• Canonical SMILES: NNc1ncccc1F
• InChI: InChI=1S/C5H6FN3/c6-4-2-1-3-8-5(4)9-7/h1-3H,7H2,(H,8,9)
• InChIKey: HXRVAPHVNZCFJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-hydrazinylpyridine
• IUPAC Traditional name: 3-fluoro-2-hydrazinylpyridine
• Synonyms: 3-Fluoro(pyridin-2-yl)hydrazine; 3-Fluoro-2-hydrazinopyridine

Database IDs

• CAS Number: 887266-57-1
• MDL Number: MFCD09998071
• PubChem SID: 162081209
• PubChem CID: 26985286

CALCULATED PROPERTIES

• Acid pKa: 17.019981
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.26380858
• LogD (pH = 7.4): 0.8647882
• Log P: 0.88437545
• Molar Refractivity: 34.1377 cm^3
• Polarizability: 11.715155 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon/Keep Cold