2-chloro-5-hydrazinylpyrazine

• ChemBase ID: 288955
• Molecular Formular: C4H5ClN4
• Molecular Mass: 144.5623
• Monoisotopic Mass: 144.02027386
• SMILES: NNc1ncc(Cl)nc1
• Canonical SMILES: NNc1cnc(cn1)Cl
• InChI: InChI=1S/C4H5ClN4/c5-3-1-8-4(9-6)2-7-3/h1-2H,6H2,(H,8,9)
• InChIKey: MIAGZVVFJPCALQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-hydrazinylpyrazine
• IUPAC Traditional name: 2-chloro-5-hydrazinylpyrazine
• Synonyms: 2-Chloro-5-hydrazinylpyrazine

Database IDs

• CAS Number: 299441-13-7
• PubChem SID: 180674486
• PubChem CID: 15864597

CALCULATED PROPERTIES

• Acid pKa: 18.291409
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3442059
• LogD (pH = 7.4): 0.34817216
• Log P: 0.34822294
• Molar Refractivity: 37.6305 cm^3
• Polarizability: 13.114183 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%