[6-(piperidin-1-yl)pyridin-2-yl]boronic acid

• ChemBase ID: 804872
• Molecular Formular: C10H15BN2O2
• Molecular Mass: 206.0493
• Monoisotopic Mass: 206.12265813
• SMILES: B(O)(O)c1nc(ccc1)N1CCCCC1
• Canonical SMILES: OB(c1cccc(n1)N1CCCCC1)O
• InChI: InChI=1S/C10H15BN2O2/c14-11(15)9-5-4-6-10(12-9)13-7-2-1-3-8-13/h4-6,14-15H,1-3,7-8H2
• InChIKey: DZSSGUPQPUAIGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(piperidin-1-yl)pyridin-2-yl]boronic acid
• IUPAC Traditional name: 6-(piperidin-1-yl)pyridin-2-ylboronic acid
• Synonyms: 6-(PIPERIDIN-1-YL)PYRIDINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.047973
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7065458
• LogD (pH = 7.4): 2.6234272
• Log P: 2.7114
• Molar Refractivity: 55.6442 cm^3
• Polarizability: 22.259888 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%