5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C36H64B3BrN2O6 — CID 158046806

About 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158046806) has the molecular formula C36H64B3BrN2O6 and a molecular weight of 737.24 g/mol. Its IUPAC name is 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158046806
• Molecular Formula: C36H64B3BrN2O6
• Molecular Weight: 737.24 g/mol
• Exact Mass: 736.43
• IUPAC Name: 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[14CH](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[14CH](C)c1ccc(Br)cn1
• InChI: InChI=1S/C14H22BNO2.C12H24B2O4.C8H10BrN.2CH4/c1-10(2)12-8-7-11(9-16-12)15-17-13(3,4)14(5,6)18-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6(2)8-4-3-7(9)5-10-8;;/h7-10H,1-6H3;1-8H3;3-6H,1-2H3;2*1H4/i10+2;;6+2
• InChIKey: FIZZASQPSFDAED-ZMUQRLTESA-N
• XLogP: 8.99
• TPSA: 81.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.24
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158046806) is 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[14CH](C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.C[14CH](C)c1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is FIZZASQPSFDAED-ZMUQRLTESA-N. The full InChI is InChI=1S/C14H22BNO2.C12H24B2O4.C8H10BrN.2CH4/c1-10(2)12-8-7-11(9-16-12)15-17-13(3,4)14(5,6)18-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6(2)8-4-3-7(9)5-10-8;;/h7-10H,1-6H3;1-8H3;3-6H,1-2H3;2*1H4/i10+2;;6+2;;.

What are the key properties of 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 737.24 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(214C)propan-2-ylpyridine;methane;2-(214C)propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158046806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).