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

• ChemBase ID: 804867
• Molecular Formular: C11H15BClNO2
• Molecular Mass: 239.5063
• Monoisotopic Mass: 239.08843681
• SMILES: CC1(C)OB(OC1(C)C)c1nccc(c1)Cl
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1nccc(c1)Cl
• InChI: InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)9-7-8(13)5-6-14-9/h5-7H,1-4H3
• InChIKey: GYLWLVSGDPGRIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 4-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 4-CHLOROPYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1204600-17-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8050895
• LogD (pH = 7.4): 3.8051
• Log P: 3.8051
• Molar Refractivity: 58.6745 cm^3
• Polarizability: 24.984173 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%