5-chloro-N-methoxy-N-methylpyrazine-2-carboxamide

• ChemBase ID: 164384
• Molecular Formular: C7H8ClN3O2
• Molecular Mass: 201.61032
• Monoisotopic Mass: 201.03050419
• SMILES: c1c(ncc(n1)C(=O)N(C)OC)Cl
• Canonical SMILES: CN(C(=O)c1cnc(cn1)Cl)OC
• InChI: InChI=1S/C7H8ClN3O2/c1-11(13-2)7(12)5-3-10-6(8)4-9-5/h3-4H,1-2H3
• InChIKey: YYGRWJQSYZTWQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-methoxy-N-methylpyrazine-2-carboxamide
• IUPAC Traditional name: 5-chloro-N-methoxy-N-methylpyrazine-2-carboxamide
• Synonyms: 5-Chloro-N-methoxy-N-methyl-2-pyrazinecarboxamide

Database IDs

• CAS Number: 1211533-01-5
• PubChem SID: 162258519
• PubChem CID: 71314757

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.1970685
• LogD (pH = 7.4): 0.1970685
• Log P: 0.1970685
• Molar Refractivity: 47.4603 cm^3
• Polarizability: 17.863266 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Orange Solid

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - C368700

Used in the preparation of spirocyclic compounds for the treatment of bacterial infections.