4-(5-bromopyrazin-2-yl)morpholine

• ChemBase ID: 804086
• Molecular Formular: C8H10BrN3O
• Molecular Mass: 244.0885
• Monoisotopic Mass: 243.00072396
• SMILES: c1c(ncc(n1)N1CCOCC1)Br
• Canonical SMILES: Brc1ncc(nc1)N1CCOCC1
• InChI: InChI=1S/C8H10BrN3O/c9-7-5-11-8(6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
• InChIKey: KFJSCEYEZRTFOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromopyrazin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-bromopyrazin-2-yl)morpholine
• Synonyms: 2-BROMO-5-MORPHOLINOPYRAZINE

Database IDs

• CAS Number: 955050-08-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.99616814
• LogD (pH = 7.4): 0.9961764
• Log P: 0.99617654
• Molar Refractivity: 54.0258 cm^3
• Polarizability: 20.011662 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%