2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)

C192H164B2BrCl4F3N12O12P6Pd2 — CID 157289384

IUPAC2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)
SMILESCC1(C)OB(c2cccnc2Cl)OC1(C)C.CCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCOC(=O)c1cnn2ccc(Br)cc12.COC(=O)c1cnn2ccc(-c3cccnc3Cl)cc12.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)O)c3c2)ccc1F.Cc1cc(B(O)O)ccc1F.Cl[Pd]Cl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18FN3O2.C20H14FN3O2.6C18H15P.C14H10ClN3O2.C11H15BClNO2.C10H9BrN2O2.C7H8BFO2.2ClH.2Pd/c1-3-28-22(27)18-13-25-26-10-8-15(12-20(18)26)17-5-4-9-24-21(17)16-6-7-19(23)14(2)11-16;1-12-9-14(4-5-17(12)21)19-15(3-2-7-22-19)13-6-8-24-18(10-13)16(11-23-24)20(25)26;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20-14(19)11-8-17-18-6-4-9(7-12(11)18)10-3-2-5-16-13(10)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;1-5-4-6(8(10)11)2-3-7(5)9;;;;/h4-13H,3H2,1-2H3;2-11H,1H3,(H,25,26);6*1-15H;2-8H,1H3;5-7H,1-4H3;3-6H,2H2,1H3;2-4,10-11H,1H3;2*1H;;/q;;;;;;;;;;;;;;;+2/p-2
InChIKeyBAPWPRJLBJJUOT-UHFFFAOYSA-L
MW3530.51 g/mol
LogP37.90
Rot. Bonds31

About 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)

2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane) (PubChem CID 157289384) has the molecular formula C192H164B2BrCl4F3N12O12P6Pd2 and a molecular weight of 3530.51 g/mol. Its IUPAC name is 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane).

Molecular Properties

Compound Name2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)
PubChem CID157289384
Molecular FormulaC192H164B2BrCl4F3N12O12P6Pd2
Molecular Weight3530.51 g/mol
Exact Mass3524.72
IUPAC Name2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)
SMILESCC1(C)OB(c2cccnc2Cl)OC1(C)C.CCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCOC(=O)c1cnn2ccc(Br)cc12.COC(=O)c1cnn2ccc(-c3cccnc3Cl)cc12.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)O)c3c2)ccc1F.Cc1cc(B(O)O)ccc1F.Cl[Pd]Cl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H18FN3O2.C20H14FN3O2.6C18H15P.C14H10ClN3O2.C11H15BClNO2.C10H9BrN2O2.C7H8BFO2.2ClH.2Pd/c1-3-28-22(27)18-13-25-26-10-8-15(12-20(18)26)17-5-4-9-24-21(17)16-6-7-19(23)14(2)11-16;1-12-9-14(4-5-17(12)21)19-15(3-2-7-22-19)13-6-8-24-18(10-13)16(11-23-24)20(25)26;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20-14(19)11-8-17-18-6-4-9(7-12(11)18)10-3-2-5-16-13(10)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;1-5-4-6(8(10)11)2-3-7(5)9;;;;/h4-13H,3H2,1-2H3;2-11H,1H3,(H,25,26);6*1-15H;2-8H,1H3;5-7H,1-4H3;3-6H,2H2,1H3;2-4,10-11H,1H3;2*1H;;/q;;;;;;;;;;;;;;;+2/p-2
InChIKeyBAPWPRJLBJJUOT-UHFFFAOYSA-L
XLogP37.90
TPSA295.88 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003530.51
LogP ≤ 537.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)?
The IUPAC name of 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane) (CID 157289384) is 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane).
What is the SMILES notation for 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)?
The canonical SMILES for 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane) is CC1(C)OB(c2cccnc2Cl)OC1(C)C.CCOC(=O)c1cnn2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCOC(=O)c1cnn2ccc(Br)cc12.COC(=O)c1cnn2ccc(-c3cccnc3Cl)cc12.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)O)c3c2)ccc1F.Cc1cc(B(O)O)ccc1F.Cl[Pd]Cl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.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-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)?
The InChIKey is BAPWPRJLBJJUOT-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H18FN3O2.C20H14FN3O2.6C18H15P.C14H10ClN3O2.C11H15BClNO2.C10H9BrN2O2.C7H8BFO2.2ClH.2Pd/c1-3-28-22(27)18-13-25-26-10-8-15(12-20(18)26)17-5-4-9-24-21(17)16-6-7-19(23)14(2)11-16;1-12-9-14(4-5-17(12)21)19-15(3-2-7-22-19)13-6-8-24-18(10-13)16(11-23-24)20(25)26;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20-14(19)11-8-17-18-6-4-9(7-12(11)18)10-3-2-5-16-13(10)15;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;1-5-4-6(8(10)11)2-3-7(5)9;;;;/h4-13H,3H2,1-2H3;2-11H,1H3,(H,25,26);6*1-15H;2-8H,1H3;5-7H,1-4H3;3-6H,2H2,1H3;2-4,10-11H,1H3;2*1H;;/q;;;;;;;;;;;;;;;+2/p-2.
What are the key properties of 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane)?
2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane) has a molecular weight of 3530.51 g/mol, XLogP of 37.90, 31 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dichloropalladium;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate;(4-fluoro-3-methylphenyl)boronic acid;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxylate;palladium;hexakis(triphenylphosphane) is sourced from PubChem (CID 157289384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).