lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)

C142H170Br2ClF6LiN8P4PdSn3 — CID 159657151

About lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)

lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane) (PubChem CID 159657151) has the molecular formula C142H170Br2ClF6LiN8P4PdSn3 and a molecular weight of 2891.62 g/mol. Its IUPAC name is lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)
• PubChem CID: 159657151
• Molecular Formula: C142H170Br2ClF6LiN8P4PdSn3
• Molecular Weight: 2891.62 g/mol
• Exact Mass: 2890.67
• IUPAC Name: lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)
• SMILES: Brc1ccccn1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCCC[Sn](Cl)(CCCC)CCCC.FC(F)(F)c1ncc(-c2ccccn2)cn1.FC(F)(F)c1ncc(Br)cn1.[CH2-]CCC.[Li+].[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.C10H6F3N3.C5H2BrF3N2.C5H4BrN.2C5H4N.10C4H9.ClH.Li.Pd.3Sn/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(12,13)9-15-5-7(6-16-9)8-3-1-2-4-14-8;6-3-1-10-4(11-2-3)5(7,8)9;6-5-3-1-2-4-7-5;2*1-2-4-6-5-3-1;10*1-3-4-2;;;;;;/h4*1-15H;1-6H;1-2H;1-4H;2*1-4H;10*1,3-4H2,2H3;1H;;;;;/q;;;;;;;;;;;;;;;;;;-1;;+1;;;;+1/p-1
• InChIKey: AGMUHPMCVVCGDH-UHFFFAOYSA-M
• XLogP: 34.91
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 43
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2891.62
LogP ≤ 5	34.91
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)?

The IUPAC name of lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane) (CID 159657151) is lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane).

What is the SMILES notation for lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)?

The canonical SMILES for lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane) is Brc1ccccn1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCCC[Sn](Cl)(CCCC)CCCC.FC(F)(F)c1ncc(-c2ccccn2)cn1.FC(F)(F)c1ncc(Br)cn1.[CH2-]CCC.[Li+].[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 lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)?

The InChIKey is AGMUHPMCVVCGDH-UHFFFAOYSA-M. The full InChI is InChI=1S/4C18H15P.C10H6F3N3.C5H2BrF3N2.C5H4BrN.2C5H4N.10C4H9.ClH.Li.Pd.3Sn/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(12,13)9-15-5-7(6-16-9)8-3-1-2-4-14-8;6-3-1-10-4(11-2-3)5(7,8)9;6-5-3-1-2-4-7-5;2*1-2-4-6-5-3-1;10*1-3-4-2;;;;;;/h4*1-15H;1-6H;1-2H;1-4H;2*1-4H;10*1,3-4H2,2H3;1H;;;;;/q;;;;;;;;;;;;;;;;;;-1;;+1;;;;+1/p-1.

What are the key properties of lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)?

lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane) has a molecular weight of 2891.62 g/mol, XLogP of 34.91, 43 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane) is sourced from PubChem (CID 159657151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).