lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

C41H56B2BrLiN2O5 — CID 158495089

About lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 158495089) has the molecular formula C41H56B2BrLiN2O5 and a molecular weight of 765.38 g/mol. Its IUPAC name is lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
• PubChem CID: 158495089
• Molecular Formula: C41H56B2BrLiN2O5
• Molecular Weight: 765.38 g/mol
• Exact Mass: 764.37
• IUPAC Name: lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2ccccn2)cc1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc(-c3ccccn3)cc2)OC1(C)C.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C17H20BNO2.C11H8BrN.C9H19BO3.C4H9.Li/c1-16(2)17(3,4)21-18(20-16)14-10-8-13(9-11-14)15-7-5-6-12-19-15;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-3-4-2;/h5-12H,1-4H3;1-8H;7H,1-6H3;1,3-4H2,2H3;/q;;;-1;+1
• InChIKey: MCZLXMFSLFALCP-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 71.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.38
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

The IUPAC name of lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 158495089) is lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

What is the SMILES notation for lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

The canonical SMILES for lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is Brc1ccc(-c2ccccn2)cc1.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc(-c3ccccn3)cc2)OC1(C)C.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

The InChIKey is MCZLXMFSLFALCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BNO2.C11H8BrN.C9H19BO3.C4H9.Li/c1-16(2)17(3,4)21-18(20-16)14-10-8-13(9-11-14)15-7-5-6-12-19-15;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-7(2)11-10-12-8(3,4)9(5,6)13-10;1-3-4-2;/h5-12H,1-4H3;1-8H;7H,1-6H3;1,3-4H2,2H3;/q;;;-1;+1.

What are the key properties of lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?

lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 765.38 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-(4-bromophenyl)pyridine;butane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 158495089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).