(5-methylpyrazin-2-yl)boronic acid

• ChemBase ID: 804155
• Molecular Formular: C5H7BN2O2
• Molecular Mass: 137.93228
• Monoisotopic Mass: 138.06005787
• SMILES: B(O)(O)c1cnc(cn1)C
• Canonical SMILES: OB(c1ncc(nc1)C)O
• InChI: InChI=1S/C5H7BN2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3,9-10H,1H3
• InChIKey: JGQPLJPKKYQARO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylpyrazin-2-yl)boronic acid
• IUPAC Traditional name: 5-methylpyrazin-2-ylboronic acid
• Synonyms: 5-METHYLPYRAZINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 7.8033957
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.11694623
• LogD (pH = 7.4): -0.2588527
• Log P: -0.1148
• Molar Refractivity: 31.1947 cm^3
• Polarizability: 13.54301 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%