5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)

C106H96BBrCl2N6O2P4Pd — CID 159360081

About 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)

5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane) (PubChem CID 159360081) has the molecular formula C106H96BBrCl2N6O2P4Pd and a molecular weight of 1877.91 g/mol. Its IUPAC name is 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159360081
• Molecular Formula: C106H96BBrCl2N6O2P4Pd
• Molecular Weight: 1877.91 g/mol
• Exact Mass: 1874.42
• IUPAC Name: 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)
• SMILES: CC1(C)OB(c2cccnc2Cl)OC1(C)C.CCn1ncc2cc(-c3cccnc3Cl)ccc21.CCn1ncc2cc(Br)ccc21.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/4C18H15P.C14H12ClN3.C11H15BClNO2.C9H9BrN2.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-18-13-6-5-10(8-11(13)9-17-18)12-4-3-7-16-14(12)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-12-9-4-3-8(10)5-7(9)6-11-12;/h4*1-15H;3-9H,2H2,1H3;5-7H,1-4H3;3-6H,2H2,1H3
• InChIKey: LIKSFTBONLGSBV-UHFFFAOYSA-N
• XLogP: 22.40
• TPSA: 79.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1877.91
LogP ≤ 5	22.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane) (CID 159360081) is 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane) is CC1(C)OB(c2cccnc2Cl)OC1(C)C.CCn1ncc2cc(-c3cccnc3Cl)ccc21.CCn1ncc2cc(Br)ccc21.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)?

The InChIKey is LIKSFTBONLGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C14H12ClN3.C11H15BClNO2.C9H9BrN2.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-18-13-6-5-10(8-11(13)9-17-18)12-4-3-7-16-14(12)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-12-9-4-3-8(10)5-7(9)6-11-12;/h4*1-15H;3-9H,2H2,1H3;5-7H,1-4H3;3-6H,2H2,1H3;.

What are the key properties of 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane)?

5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1877.91 g/mol, XLogP of 22.40, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-ethylindazole;5-(2-chloro-3-pyridinyl)-1-ethylindazole;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159360081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).