6-chloro-N-methoxy-N-methylpyrazine-2-carboxamide

• ChemBase ID: 53409
• Molecular Formular: C7H8ClN3O2
• Molecular Mass: 201.61032
• Monoisotopic Mass: 201.03050419
• SMILES: c1(C(=O)N(OC)C)nc(Cl)cnc1
• Canonical SMILES: CN(C(=O)c1cncc(n1)Cl)OC
• InChI: InChI=1S/C7H8ClN3O2/c1-11(13-2)7(12)5-3-9-4-6(8)10-5/h3-4H,1-2H3
• InChIKey: HTOWCNMMJZZNJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-methoxy-N-methylpyrazine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-methoxy-N-methylpyrazine-2-carboxamide
• Synonyms: 6-Chloro-N-methoxy-N-methylpyrazine-2-carboxamide

Database IDs

• MDL Number: MFCD17167334
• PubChem SID: 162058172
• PubChem CID: 51000274

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.19706847
• LogD (pH = 7.4): 0.1970685
• Log P: 0.1970685
• Molar Refractivity: 47.4603 cm^3
• Polarizability: 17.862337 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%