2-(4-methyl-1H-pyrazol-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 804193
• Molecular Formular: C15H20BN3O2
• Molecular Mass: 285.1492
• Monoisotopic Mass: 285.1648573
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)n1ncc(c1)C
• Canonical SMILES: Cc1cnn(c1)c1cccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H20BN3O2/c1-11-9-17-19(10-11)13-8-6-7-12(18-13)16-20-14(2,3)15(4,5)21-16/h6-10H,1-5H3
• InChIKey: QGLPQKIYDFNWTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1H-pyrazol-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-(4-methylpyrazol-1-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-(4-METHYL-1H-PYRAZOL-1-YL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.4084654
• LogD (pH = 7.4): 4.4084997
• Log P: 4.4085
• Molar Refractivity: 77.5861 cm^3
• Polarizability: 31.279825 Å^3
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%