2-chloro-6-(2-methyl-1H-imidazol-1-yl)pyrazine

• ChemBase ID: 242810
• Molecular Formular: C8H7ClN4
• Molecular Mass: 194.62098
• Monoisotopic Mass: 194.03592392
• SMILES: n1(c2nc(Cl)cnc2)c(ncc1)C
• Canonical SMILES: Clc1cncc(n1)n1ccnc1C
• InChI: InChI=1S/C8H7ClN4/c1-6-11-2-3-13(6)8-5-10-4-7(9)12-8/h2-5H,1H3
• InChIKey: VKNNSTPPZCFKNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(2-methyl-1H-imidazol-1-yl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(2-methylimidazol-1-yl)pyrazine
• Synonyms: 2-chloro-6-(2-methyl-1H-imidazol-1-yl)pyrazine

Database IDs

• MDL Number: MFCD09879054
• PubChem SID: 164298720
• PubChem CID: 43260435

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5346603
• LogD (pH = 7.4): 0.4027044
• Log P: 0.5072
• Molar Refractivity: 60.3129 cm^3
• Polarizability: 18.713717 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.736

Product Information

• Purity: 95%