magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride

C96H82BrCl5F2MgN4P4PdZn — CID 158563802

About magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride

magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride (PubChem CID 158563802) has the molecular formula C96H82BrCl5F2MgN4P4PdZn and a molecular weight of 1906.92 g/mol. Its IUPAC name is magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride.

Molecular Properties

• Compound Name: magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride
• PubChem CID: 158563802
• Molecular Formula: C96H82BrCl5F2MgN4P4PdZn
• Molecular Weight: 1906.92 g/mol
• Exact Mass: 1900.13
• IUPAC Name: magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride
• SMILES: C[CH-]C.Cc1cccnc1Cl.Cl[Zn]Cl.Fc1cccnc1-c1cccnc1Cl.Fc1cccnc1Br.[Cl-].[Mg+2].[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.C10H6ClFN2.C6H6ClN.C5H3BrFN.C3H7.3ClH.Mg.Pd.Zn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-10-7(3-1-6-14-10)9-8(12)4-2-5-13-9;1-5-3-2-4-8-6(5)7;6-5-4(7)2-1-3-8-5;1-3-2;;;;;;/h4*1-15H;1-6H;2-4H,1H3;1-3H;3H,1-2H3;3*1H;;;/q;;;;;;;-1;;;;+2;;+2/p-3
• InChIKey: LKZOVRFCDJSTHZ-UHFFFAOYSA-K
• XLogP: 19.97
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1906.92
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride?

The IUPAC name of magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride (CID 158563802) is magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride.

What is the SMILES notation for magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride?

The canonical SMILES for magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride is C[CH-]C.Cc1cccnc1Cl.Cl[Zn]Cl.Fc1cccnc1-c1cccnc1Cl.Fc1cccnc1Br.[Cl-].[Mg+2].[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 magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride?

The InChIKey is LKZOVRFCDJSTHZ-UHFFFAOYSA-K. The full InChI is InChI=1S/4C18H15P.C10H6ClFN2.C6H6ClN.C5H3BrFN.C3H7.3ClH.Mg.Pd.Zn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-10-7(3-1-6-14-10)9-8(12)4-2-5-13-9;1-5-3-2-4-8-6(5)7;6-5-4(7)2-1-3-8-5;1-3-2;;;;;;/h4*1-15H;1-6H;2-4H,1H3;1-3H;3H,1-2H3;3*1H;;;/q;;;;;;;-1;;;;+2;;+2/p-3.

What are the key properties of magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride?

magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride has a molecular weight of 1906.92 g/mol, XLogP of 19.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-bromo-3-fluoropyridine;2-chloro-3-(3-fluoro-2-pyridinyl)pyridine;2-chloro-3-methylpyridine;dichlorozinc;palladium;propane;tetrakis(triphenylphosphane);chloride is sourced from PubChem (CID 158563802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).