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

• ChemBase ID: 65641
• Molecular Formular: C14H22BNO5
• Molecular Mass: 295.13918
• Monoisotopic Mass: 295.15910321
• SMILES: c1(c(nc(c(c1)OC)OC)OC)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: COc1nc(OC)c(cc1B1OC(C(O1)(C)C)(C)C)OC
• InChI: InChI=1S/C14H22BNO5/c1-13(2)14(3,4)21-15(20-13)9-8-10(17-5)12(19-7)16-11(9)18-6/h8H,1-7H3
• InChIKey: AMVMDQKWXGAXKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21609478
• PubChem SID: 162031380
• PubChem CID: 71299133

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.2275972
• LogD (pH = 7.4): 3.2275999
• Log P: 3.2276
• Molar Refractivity: 73.5728 cm^3
• Polarizability: 30.697458 Å^3
• Polar Surface Area: 59.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%