2,6-difluoro-3,5-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 290900
• Molecular Formular: C17H25B2F2NO4
• Molecular Mass: 367.0035064
• Monoisotopic Mass: 367.19377553
• SMILES: CC1(C)C(C)(C)OB(c2c(F)nc(F)c(B3OC(C)(C)C(C)(C)O3)c2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cc(B2OC(C(O2)(C)C)(C)C)c(nc1F)F
• InChI: InChI=1S/C17H25B2F2NO4/c1-14(2)15(3,4)24-18(23-14)10-9-11(13(21)22-12(10)20)19-25-16(5,6)17(7,8)26-19/h9H,1-8H3
• InChIKey: PHQRJXOOBNZWQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-3,5-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2,6-difluoro-3,5-bis(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2,6-Difluoro-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database IDs

• CAS Number: 1218789-90-2
• PubChem SID: 180676431
• PubChem CID: 46739804

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.6357
• LogD (pH = 7.4): 5.6357
• Log P: 5.6357
• Molar Refractivity: 85.6735 cm^3
• Polarizability: 36.177822 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%