5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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

C34H50B3BrN8O6 — CID 159059937

About 5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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 159059937) has the molecular formula C34H50B3BrN8O6 and a molecular weight of 779.16 g/mol. Its IUPAC name is 5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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: 159059937
• Molecular Formula: C34H50B3BrN8O6
• Molecular Weight: 779.16 g/mol
• Exact Mass: 778.33
• IUPAC Name: 5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nn1.Cn1cc(-c2ccc(Br)cn2)nn1
• InChI: InChI=1S/C14H19BN4O2.C12H24B2O4.C8H7BrN4/c1-13(2)14(3,4)21-15(20-13)10-6-7-11(16-8-10)12-9-19(5)18-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-13-5-8(11-12-13)7-3-2-6(9)4-10-7/h6-9H,1-5H3;1-8H3;2-5H,1H3
• InChIKey: JYIJFQNZDGIDDP-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 142.58 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	779.16
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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 159059937) is 5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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.Cn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)nn1.Cn1cc(-c2ccc(Br)cn2)nn1.

What is the InChIKey of 5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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 JYIJFQNZDGIDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BN4O2.C12H24B2O4.C8H7BrN4/c1-13(2)14(3,4)21-15(20-13)10-6-7-11(16-8-10)12-9-19(5)18-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-13-5-8(11-12-13)7-3-2-6(9)4-10-7/h6-9H,1-5H3;1-8H3;2-5H,1H3.

What are the key properties of 5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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 779.16 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(1-methyltriazol-4-yl)pyridine;2-(1-methyltriazol-4-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 159059937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).