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

• ChemBase ID: 804871
• Molecular Formular: C9H13BN2O3
• Molecular Mass: 208.02212
• Monoisotopic Mass: 208.10192269
• SMILES: B(O)(O)c1nc(ccc1)N1CCOCC1
• Canonical SMILES: OB(c1cccc(n1)N1CCOCC1)O
• InChI: InChI=1S/C9H13BN2O3/c13-10(14)8-2-1-3-9(11-8)12-4-6-15-7-5-12/h1-3,13-14H,4-7H2
• InChIKey: YONPJFKNMVJHJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Acid pKa: 8.046836
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6424071
• LogD (pH = 7.4): 1.5587453
• Log P: 1.6469
• Molar Refractivity: 52.5767 cm^3
• Polarizability: 21.137049 Å^3
• Polar Surface Area: 65.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%