2-bromo-6-(pyrrolidin-1-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 290538
• Molecular Formular: C15H22BBrN2O2
• Molecular Mass: 353.06238
• Monoisotopic Mass: 352.09577035
• SMILES: Brc1nc(N2CCCC2)cc(B2OC(C(O2)(C)C)(C)C)c1
• Canonical SMILES: Brc1cc(cc(n1)N1CCCC1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H22BBrN2O2/c1-14(2)15(3,4)21-16(20-14)11-9-12(17)18-13(10-11)19-7-5-6-8-19/h9-10H,5-8H2,1-4H3
• InChIKey: SMIDMYZEZFDSQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1150271-64-9
• PubChem SID: 180676069
• PubChem CID: 46739361

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 5.0663977
• LogD (pH = 7.4): 5.0664
• Log P: 5.0664
• Molar Refractivity: 84.3043 cm^3
• Polarizability: 33.69113 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 4

PROPERTIES

Product Information

• Purity: 95+%