5-chloro-2,3-dimethylpyrazine

• ChemBase ID: 291922
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: Cc1c(C)nc(Cl)cn1
• Canonical SMILES: Clc1cnc(c(n1)C)C
• InChI: InChI=1S/C6H7ClN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3
• InChIKey: MEWMQKSSLANHCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,3-dimethylpyrazine
• IUPAC Traditional name: 5-chloro-2,3-dimethylpyrazine
• Synonyms: 5-Chloro-2,3-dimethylpyrazine

Database IDs

• CAS Number: 59489-32-6
• MDL Number: MFCD13189517
• PubChem SID: 180677453
• PubChem CID: 12600390

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.62486
• LogD (pH = 7.4): 0.6248631
• Log P: 0.62486315
• Molar Refractivity: 36.7933 cm^3
• Polarizability: 14.030035 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%