2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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

C38H66B3BrN2O7Si — CID 159949328

About 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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

2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 159949328) has the molecular formula C38H66B3BrN2O7Si and a molecular weight of 809.33 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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: 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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: 159949328
• Molecular Formula: C38H66B3BrN2O7Si
• Molecular Weight: 809.33 g/mol
• Exact Mass: 808.43
• IUPAC Name: 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc([13C](C)([13CH3])[13CH3])nc2)OC1(C)C.C[Si](C)(C)O[13C]([13CH3])([13CH3])c1ccc(Br)cn1
• InChI: InChI=1S/C15H24BNO2.C12H24B2O4.C11H18BrNOSi/c1-13(2,3)12-9-8-11(10-17-12)16-18-14(4,5)15(6,7)19-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,14-15(3,4)5)10-7-6-9(12)8-13-10/h8-10H,1-7H3;1-8H3;6-8H,1-5H3/i1+1,2+1,13+1;;1+1,2+1,11+1
• InChIKey: OBXBBYFVDAELQJ-GIPZYMMNSA-N
• XLogP: 8.86
• TPSA: 90.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.33
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 159949328) is 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc([13C](C)([13CH3])[13CH3])nc2)OC1(C)C.C[Si](C)(C)O[13C]([13CH3])([13CH3])c1ccc(Br)cn1.

What is the InChIKey of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 OBXBBYFVDAELQJ-GIPZYMMNSA-N. The full InChI is InChI=1S/C15H24BNO2.C12H24B2O4.C11H18BrNOSi/c1-13(2,3)12-9-8-11(10-17-12)16-18-14(4,5)15(6,7)19-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,14-15(3,4)5)10-7-6-9(12)8-13-10/h8-10H,1-7H3;1-8H3;6-8H,1-5H3/i1+1,2+1,13+1;;1+1,2+1,11+1.

What are the key properties of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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?

2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 809.33 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane;2-(2-methyl(1,2,3-13C3)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 159949328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).