5-chloro-2-hydrazinylpyrimidine

• ChemBase ID: 309304
• Molecular Formular: C4H5ClN4
• Molecular Mass: 144.5623
• Monoisotopic Mass: 144.02027386
• SMILES: c1(ncc(cn1)Cl)NN
• Canonical SMILES: NNc1ncc(cn1)Cl
• InChI: InChI=1S/C4H5ClN4/c5-3-1-7-4(9-6)8-2-3/h1-2H,6H2,(H,7,8,9)
• InChIKey: WUDNSGDMTFEQIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 823-90-5
• MDL Number: MFCD09754100

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.71257037
• LogD (pH = 7.4): 0.7240602
• Log P: 0.7242088
• Molar Refractivity: 37.1798 cm^3
• Polarizability: 13.073127 Å^3
• Polar Surface Area: 63.83 Å^2
• Acid pKa: 15.463153
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%