2-chloro-3-(chloromethyl)pyrazine hydrochloride

• ChemBase ID: 291757
• Molecular Formular: C5H5Cl3N2
• Molecular Mass: 199.4656
• Monoisotopic Mass: 197.95183121
• SMILES: ClCc1nccnc1Cl.Cl
• Canonical SMILES: ClCc1nccnc1Cl.Cl
• InChI: InChI=1S/C5H4Cl2N2.ClH/c6-3-4-5(7)9-2-1-8-4;/h1-2H,3H2;1H
• InChIKey: RAORGCDNTHIVNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(chloromethyl)pyrazine hydrochloride
• IUPAC Traditional name: 2-chloro-3-(chloromethyl)pyrazine hydrochloride
• Synonyms: 2-Chloro-3-(chloromethyl)pyrazine hydrochloride

Database IDs

• PubChem SID: 180677288
• PubChem CID: 70700923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0308367
• LogD (pH = 7.4): 1.0308368
• Log P: 1.0308368
• Molar Refractivity: 36.955 cm^3
• Polarizability: 14.252939 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%