5-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 810313
• Molecular Formular: C11H15BClNO2
• Molecular Mass: 239.5063
• Monoisotopic Mass: 239.08843681
• SMILES: CC1(C)OB(OC1(C)C)c1ncc(cc1)Cl
• Canonical SMILES: Clc1ccc(nc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)9-6-5-8(13)7-14-9/h5-7H,1-4H3
• InChIKey: RWOCXFPQPISTSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 5-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 5-CHLOROPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 652148-93-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8050985
• LogD (pH = 7.4): 3.8051
• Log P: 3.8051
• Molar Refractivity: 58.6745 cm^3
• Polarizability: 25.000793 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%