2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)

C104H99BrCl4N4P4PdSn — CID 159818830

IUPAC2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(Cl)n1.Clc1cccc(-c2cccc(Cl)n2)n1.Clc1cccc(Br)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C10H6Cl2N2.C5H3BrClN.C5H3ClN.3C4H9.Pd.Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;6-4-2-1-3-5(7)8-4;6-5-3-1-2-4-7-5;3*1-3-4-2;;/h4*1-15H;1-6H;1-3H;1-3H;3*1,3-4H2,2H3;;
InChIKeyNLYVOIVPEWLNLQ-UHFFFAOYSA-N
MW1975.71 g/mol
LogP25.52
Rot. Bonds23

About 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)

2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane) (PubChem CID 159818830) has the molecular formula C104H99BrCl4N4P4PdSn and a molecular weight of 1975.71 g/mol. Its IUPAC name is 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)
PubChem CID159818830
Molecular FormulaC104H99BrCl4N4P4PdSn
Molecular Weight1975.71 g/mol
Exact Mass1972.28
IUPAC Name2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(Cl)n1.Clc1cccc(-c2cccc(Cl)n2)n1.Clc1cccc(Br)n1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C10H6Cl2N2.C5H3BrClN.C5H3ClN.3C4H9.Pd.Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;6-4-2-1-3-5(7)8-4;6-5-3-1-2-4-7-5;3*1-3-4-2;;/h4*1-15H;1-6H;1-3H;1-3H;3*1,3-4H2,2H3;;
InChIKeyNLYVOIVPEWLNLQ-UHFFFAOYSA-N
XLogP25.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001975.71
LogP ≤ 525.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-4-tert-butylpyridine;2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)
CID 157439136
Sodium;2-bromo-6-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine;2,6-dibromopyridine;1,3-dichloro-2-(isocyanomethyl)benzene;hydride;palladium;tetrakis(triphenylphosphane)
CID 159133207
2-Chloro-6-pyridin-2-ylpyridine;2,6-dichloropyridine;2-methylpyridine;palladium;tetrakis(triphenylphosphane)
CID 159167753
2-[6-[[6-[6-[[6-(6-Bromo-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]-6-[[6-[6-[[6-[6-[[6-(6-bromo-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]-2-pyridinyl]-phenylphosphoryl]pyridine
CID 16154940

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)?
The IUPAC name of 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane) (CID 159818830) is 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane) is CCCC[Sn](CCCC)(CCCC)c1cccc(Cl)n1.Clc1cccc(-c2cccc(Cl)n2)n1.Clc1cccc(Br)n1.[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 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)?
The InChIKey is NLYVOIVPEWLNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C10H6Cl2N2.C5H3BrClN.C5H3ClN.3C4H9.Pd.Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8;6-4-2-1-3-5(7)8-4;6-5-3-1-2-4-7-5;3*1-3-4-2;;/h4*1-15H;1-6H;1-3H;1-3H;3*1,3-4H2,2H3;;.
What are the key properties of 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane)?
2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane) has a molecular weight of 1975.71 g/mol, XLogP of 25.52, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloropyridine;2-chloro-6-(6-chloro-2-pyridinyl)pyridine;palladium;tributyl-(6-chloro-2-pyridinyl)stannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159818830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).