6-chloro-N,N-dimethylpyrazine-2-carboxamide

• ChemBase ID: 308128
• Molecular Formular: C7H8ClN3O
• Molecular Mass: 185.61092
• Monoisotopic Mass: 185.03558957
• SMILES: c1(C(=O)N(C)C)nc(Cl)cnc1
• Canonical SMILES: CN(C(=O)c1cncc(n1)Cl)C
• InChI: InChI=1S/C7H8ClN3O/c1-11(2)7(12)5-3-9-4-6(8)10-5/h3-4H,1-2H3
• InChIKey: FAJPFOLFEIYMJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethylpyrazine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N,N-dimethylpyrazine-2-carboxamide
• Synonyms: 6-chloro-N,N-dimethyl-2-pyrazinecarboxamide

Database IDs

• CAS Number: 959240-74-5
• MDL Number: MFCD09864553

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.04596553
• LogD (pH = 7.4): 0.045965567
• Log P: 0.045965567
• Molar Refractivity: 46.1101 cm^3
• Polarizability: 17.104795 Å^3
• Polar Surface Area: 46.09 Å^2