4-(6-chloropyrazine-2-carbonyl)morpholine

• ChemBase ID: 308164
• Molecular Formular: C9H10ClN3O2
• Molecular Mass: 227.6476
• Monoisotopic Mass: 227.04615426
• SMILES: c1(C(=O)N2CCOCC2)nc(Cl)cnc1
• Canonical SMILES: O=C(c1cncc(n1)Cl)N1CCOCC1
• InChI: InChI=1S/C9H10ClN3O2/c10-8-6-11-5-7(12-8)9(14)13-1-3-15-4-2-13/h5-6H,1-4H2
• InChIKey: CECQGRYOHPHEPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-chloropyrazine-2-carbonyl)morpholine
• IUPAC Traditional name: 4-(6-chloropyrazine-2-carbonyl)morpholine
• Synonyms: 4-[(6-chloro-2-pyrazinyl)carbonyl]morpholine

Database IDs

• CAS Number: 24079-32-1
• MDL Number: MFCD09864564

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.17253493
• LogD (pH = 7.4): -0.17253488
• Log P: -0.17253488
• Molar Refractivity: 55.1846 cm^3
• Polarizability: 20.793596 Å^3
• Polar Surface Area: 55.32 Å^2