sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)

C98H76Br3Cl4N4NaP4Pd — CID 159133207

About sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)

sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane) (PubChem CID 159133207) has the molecular formula C98H76Br3Cl4N4NaP4Pd and a molecular weight of 1944.54 g/mol. Its IUPAC name is sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159133207
• Molecular Formula: C98H76Br3Cl4N4NaP4Pd
• Molecular Weight: 1944.54 g/mol
• Exact Mass: 1938.03
• IUPAC Name: sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)
• SMILES: Brc1cccc(Br)n1.[C-]#[N+]C(c1cccc(Br)n1)c1c(Cl)cccc1Cl.[C-]#[N+]Cc1c(Cl)cccc1Cl.[H-].[Na+].[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.C13H7BrCl2N2.C8H5Cl2N.C5H3Br2N.Na.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17-13(10-6-3-7-11(14)18-10)12-8(15)4-2-5-9(12)16;1-11-5-6-7(9)3-2-4-8(6)10;6-4-2-1-3-5(7)8-4;;;/h4*1-15H;2-7,13H;2-4H,5H2;1-3H;;;/q;;;;;;;+1;;-1
• InChIKey: WRJVTWUXJXSTMR-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 34.50 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1944.54
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane) (CID 159133207) is sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane) is Brc1cccc(Br)n1.[C-]#[N+]C(c1cccc(Br)n1)c1c(Cl)cccc1Cl.[C-]#[N+]Cc1c(Cl)cccc1Cl.[H-].[Na+].[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 sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)?

The InChIKey is WRJVTWUXJXSTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C13H7BrCl2N2.C8H5Cl2N.C5H3Br2N.Na.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17-13(10-6-3-7-11(14)18-10)12-8(15)4-2-5-9(12)16;1-11-5-6-7(9)3-2-4-8(6)10;6-4-2-1-3-5(7)8-4;;;/h4*1-15H;2-7,13H;2-4H,5H2;1-3H;;;/q;;;;;;;+1;;-1.

What are the key properties of sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)?

sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1944.54 g/mol, XLogP of 22.07, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).