[6-(morpholin-4-yl)pyrazin-2-yl]boronic acid

• ChemBase ID: 804883
• Molecular Formular: C8H12BN3O3
• Molecular Mass: 209.01018
• Monoisotopic Mass: 209.09717166
• SMILES: B(O)(O)c1cncc(n1)N1CCOCC1
• Canonical SMILES: OB(c1cncc(n1)N1CCOCC1)O
• InChI: InChI=1S/C8H12BN3O3/c13-9(14)7-5-10-6-8(11-7)12-1-3-15-4-2-12/h5-6,13-14H,1-4H2
• InChIKey: HQDXZXALVAWSLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(morpholin-4-yl)pyrazin-2-yl]boronic acid
• IUPAC Traditional name: 6-(morpholin-4-yl)pyrazin-2-ylboronic acid
• Synonyms: 6-MORPHOLINOPYRAZINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 7.698948
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.3322749
• LogD (pH = 7.4): 0.15876245
• Log P: 0.335
• Molar Refractivity: 50.4198 cm^3
• Polarizability: 20.286041 Å^3
• Polar Surface Area: 78.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%