5-fluoro-2-hydrazinylpyrimidine

• ChemBase ID: 244245
• Molecular Formular: C4H5FN4
• Molecular Mass: 128.1077032
• Monoisotopic Mass: 128.0498244
• SMILES: c1(ncc(cn1)F)NN
• Canonical SMILES: NNc1ncc(cn1)F
• InChI: InChI=1S/C4H5FN4/c5-3-1-7-4(9-6)8-2-3/h1-2H,6H2,(H,7,8,9)
• InChIKey: GBEDYDITEBFPGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-hydrazinylpyrimidine
• IUPAC Traditional name: 5-fluoro-2-hydrazinylpyrimidine
• Synonyms: 5-fluoro-2-hydrazinopyrimidine

Database IDs

• MDL Number: MFCD18828115
• PubChem SID: 164300155
• PubChem CID: 13590469

CALCULATED PROPERTIES

• Acid pKa: 15.831874
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.25992355
• LogD (pH = 7.4): 0.26193544
• Log P: 0.26286602
• Molar Refractivity: 32.5914 cm^3
• Polarizability: 10.905668 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -1.357

Product Information

• Purity: 95%