[5-(dimethylamino)pyrazin-2-yl]boronic acid

• ChemBase ID: 804154
• Molecular Formular: C6H10BN3O2
• Molecular Mass: 166.9735
• Monoisotopic Mass: 167.08660698
• SMILES: B(O)(O)c1cnc(cn1)N(C)C
• Canonical SMILES: OB(c1ncc(nc1)N(C)C)O
• InChI: InChI=1S/C6H10BN3O2/c1-10(2)6-4-8-5(3-9-6)7(11)12/h3-4,11-12H,1-2H3
• InChIKey: ONURTZRKGFNFRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(dimethylamino)pyrazin-2-yl]boronic acid
• IUPAC Traditional name: 5-(dimethylamino)pyrazin-2-ylboronic acid
• Synonyms: 5-(DIMETHYLAMINO)PYRAZINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.019529
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.67628443
• LogD (pH = 7.4): 0.5845428
• Log P: 0.6776
• Molar Refractivity: 41.3453 cm^3
• Polarizability: 16.604933 Å^3
• Polar Surface Area: 69.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%