2,3-dichloro-5,6-dimethylpyrazine

• ChemBase ID: 283048
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: n1c(c(nc(c1C)C)Cl)Cl
• Canonical SMILES: Cc1nc(Cl)c(nc1C)Cl
• InChI: InChI=1S/C6H6Cl2N2/c1-3-4(2)10-6(8)5(7)9-3/h1-2H3
• InChIKey: ZSOPOANLAMBETK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-5,6-dimethylpyrazine
• IUPAC Traditional name: 2,3-dichloro-5,6-dimethylpyrazine
• Synonyms: 2,3-dichloro-5,6-dimethylpyrazine

Database IDs

• CAS Number: 32493-79-1
• MDL Number: MFCD18449257
• PubChem SID: 180668579
• PubChem CID: 12827800

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.449085
• LogD (pH = 7.4): 1.449085
• Log P: 1.449085
• Molar Refractivity: 42.6594 cm^3
• Polarizability: 16.065514 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 1.994

Product Information

• Purity: 95%; 95+%