magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride

C41H64B3Br3FMgN3O9 — CID 158921808

About magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride

magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride (PubChem CID 158921808) has the molecular formula C41H64B3Br3FMgN3O9 and a molecular weight of 1058.43 g/mol. Its IUPAC name is magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride.

Molecular Properties

• Compound Name: magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride
• PubChem CID: 158921808
• Molecular Formula: C41H64B3Br3FMgN3O9
• Molecular Weight: 1058.43 g/mol
• Exact Mass: 1055.23
• IUPAC Name: magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride
• SMILES: CC(=O)c1cncc(Br)c1.CC(C)(O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1.CC(C)(O)c1cncc(Br)c1.CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.F.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C14H22BNO3.C11H22B2O4.C8H10BrNO.C7H6BrNO.CH3.BrH.FH.Mg/c1-12(2,17)10-7-11(9-16-8-10)15-18-13(3,4)14(5,6)19-15;1-8-9(2,3)15-12(14-8)13-16-10(4,5)11(6,7)17-13;1-8(2,11)6-3-7(9)5-10-4-6;1-5(10)6-2-7(8)4-9-3-6;;;;/h7-9,17H,1-6H3;8H,1-7H3;3-5,11H,1-2H3;2-4H,1H3;1H3;2*1H;/q;;;;-1;;;+2/p-1
• InChIKey: TZQGFBDMLWGGOZ-UHFFFAOYSA-M
• XLogP: 4.81
• TPSA: 151.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.43
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride?

The IUPAC name of magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride (CID 158921808) is magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride.

What is the SMILES notation for magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride?

The canonical SMILES for magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride is CC(=O)c1cncc(Br)c1.CC(C)(O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1.CC(C)(O)c1cncc(Br)c1.CC1OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.F.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride?

The InChIKey is TZQGFBDMLWGGOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22BNO3.C11H22B2O4.C8H10BrNO.C7H6BrNO.CH3.BrH.FH.Mg/c1-12(2,17)10-7-11(9-16-8-10)15-18-13(3,4)14(5,6)19-15;1-8-9(2,3)15-12(14-8)13-16-10(4,5)11(6,7)17-13;1-8(2,11)6-3-7(9)5-10-4-6;1-5(10)6-2-7(8)4-9-3-6;;;;/h7-9,17H,1-6H3;8H,1-7H3;3-5,11H,1-2H3;2-4H,1H3;1H3;2*1H;/q;;;;-1;;;+2/p-1.

What are the key properties of magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride?

magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride has a molecular weight of 1058.43 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-(5-bromo-3-pyridinyl)ethanone;2-(5-bromo-3-pyridinyl)propan-2-ol;carbanide;2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]propan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bromide;hydrofluoride is sourced from PubChem (CID 158921808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).