2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)

C94H78BBrF2N2O2P4Pd — CID 158323925

IUPAC2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)
SMILESFc1cccc(-c2ccccc2)n1.Fc1cccc(Br)n1.OB(O)c1ccccc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C11H8FN.C6H7BO2.C5H3BrFN.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;8-7(9)6-4-2-1-3-5-6;6-4-2-1-3-5(7)8-4;/h4*1-15H;1-8H;1-5,8-9H;1-3H;
InChIKeyGPEGITHIXJSLKV-UHFFFAOYSA-N
MW1626.70 g/mol
LogP18.01
Rot. Bonds14

About 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)

2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane) (PubChem CID 158323925) has the molecular formula C94H78BBrF2N2O2P4Pd and a molecular weight of 1626.70 g/mol. Its IUPAC name is 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)
PubChem CID158323925
Molecular FormulaC94H78BBrF2N2O2P4Pd
Molecular Weight1626.70 g/mol
Exact Mass1624.33
IUPAC Name2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)
SMILESFc1cccc(-c2ccccc2)n1.Fc1cccc(Br)n1.OB(O)c1ccccc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C11H8FN.C6H7BO2.C5H3BrFN.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;8-7(9)6-4-2-1-3-5-6;6-4-2-1-3-5(7)8-4;/h4*1-15H;1-8H;1-5,8-9H;1-3H;
InChIKeyGPEGITHIXJSLKV-UHFFFAOYSA-N
XLogP18.01
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001626.70
LogP ≤ 518.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(4-Methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;tetrakis(4-bromophenyl)boranuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide
CID 123875725
[3,5-Bis(trifluoromethyl)phenyl]boronic acid;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromopyridine;2,6-dibromopyridine
CID 157261951
2-bromo-6-[(1R,2R)-2-(6-bromo-2-pyridinyl)-1,2-bis(4-fluorophenyl)ethyl]pyridine
CID 101847367
CID 146636507
CID 146636507
2,6-Bis[4-bis(3,5-difluorophenyl)phosphorylphenyl]-4-(4-phenylphenyl)pyridine;2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;bis(3,5-difluorophenyl)-oxophosphanium
CID 157211607
1-Bromo-2,4-difluorobenzene;2-bromopyridine;2-(2,4-difluorophenyl)pyridine;palladium;tetrakis(triphenylphosphane);tritium monohydride;hydrofluoride
CID 157241951
2-Bromo-3-chloropyridine;3-chloro-2-(4-fluoro-3-methylphenyl)pyridine;(4-fluoro-3-methylphenyl)boronic acid;methane;palladium;tetrakis(triphenylphosphane)
CID 157422828
2-Bromo-6-(6-bromo-2-pyridinyl)pyridine;(2,5-difluorophenyl)boronic acid;2-(2,5-difluorophenyl)-6-[6-(2,5-difluorophenyl)-2-pyridinyl]pyridine
CID 157508452
2,6-Bis(2-fluorophenyl)pyridine;2,6-dibromopyridine;(2-fluorophenyl)boronic acid;molecular iodine
CID 157945997
Lithium;2,6-bis(3-bromophenyl)-4-phenylpyridine;2,6-bis(3-diphenylphosphorylphenyl)-4-phenylpyridine;butane;chloro(diphenyl)phosphane;[3-[6-(3-diphenylphosphanylphenyl)-4-phenyl-2-pyridinyl]phenyl]-diphenylphosphane;methane
CID 158234837
2-Bromo-3-methylpyridine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-3-methylpyridine;methane
CID 158267343
2-Bromopyridine;(2,4-difluorophenyl)boronic acid;2-(2,4-difluorophenyl)pyridine
CID 158322703

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)?
The IUPAC name of 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane) (CID 158323925) is 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane).
What is the SMILES notation for 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)?
The canonical SMILES for 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane) is Fc1cccc(-c2ccccc2)n1.Fc1cccc(Br)n1.OB(O)c1ccccc1.[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-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)?
The InChIKey is GPEGITHIXJSLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C11H8FN.C6H7BO2.C5H3BrFN.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;8-7(9)6-4-2-1-3-5-6;6-4-2-1-3-5(7)8-4;/h4*1-15H;1-8H;1-5,8-9H;1-3H;.
What are the key properties of 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane)?
2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane) has a molecular weight of 1626.70 g/mol, XLogP of 18.01, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoropyridine;2-fluoro-6-phenylpyridine;palladium;phenylboronic acid;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158323925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).