3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)

C107H96BBrCl2N6O4P4Pd — CID 160828162

IUPAC3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)
SMILESCC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Clc1ncccc1-c1ccc2[nH]ncc2c1.Clc1ncccc1Br.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H25BN2O4.4C18H15P.C12H8ClN3.C5H3BrClN.Pd/c1-16(2,3)23-15(22)21-14-9-8-13(10-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12-10(2-1-5-14-12)8-3-4-11-9(6-8)7-15-16-11;6-4-2-1-3-8-5(4)7;/h8-11H,1-7H3;4*1-15H;1-7H,(H,15,16);1-3H;
InChIKeySGLJSXHQTLBLSK-UHFFFAOYSA-N
MW1921.92 g/mol
LogP22.67
Rot. Bonds14

About 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)

3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane) (PubChem CID 160828162) has the molecular formula C107H96BBrCl2N6O4P4Pd and a molecular weight of 1921.92 g/mol. Its IUPAC name is 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)
PubChem CID160828162
Molecular FormulaC107H96BBrCl2N6O4P4Pd
Molecular Weight1921.92 g/mol
Exact Mass1918.41
IUPAC Name3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)
SMILESCC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Clc1ncccc1-c1ccc2[nH]ncc2c1.Clc1ncccc1Br.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H25BN2O4.4C18H15P.C12H8ClN3.C5H3BrClN.Pd/c1-16(2,3)23-15(22)21-14-9-8-13(10-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12-10(2-1-5-14-12)8-3-4-11-9(6-8)7-15-16-11;6-4-2-1-3-8-5(4)7;/h8-11H,1-7H3;4*1-15H;1-7H,(H,15,16);1-3H;
InChIKeySGLJSXHQTLBLSK-UHFFFAOYSA-N
XLogP22.67
TPSA117.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001921.92
LogP ≤ 522.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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'}

Analyze 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate
CID 90731914
tert-butyl 5-(pyrimidin-2-yloxymethyl)indazole-1-carboxylate
CID 53418182
tert-butyl 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyrazole-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 159918774
6-(2-chloro-3-pyridinyl)imidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-iodoimidazo[1,2-a]pyridine;palladium;tetrakis(triphenylphosphane)
CID 162110993
tert-butyl 2-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 76758592
tert-butyl 3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 66981881
tert-butyl 5-hydroxyindazole-1-carboxylate
CID 118798018
tert-butyl 5-nitroindazole-1-carboxylate
CID 11499917
tert-butyl (3R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]morpholine-4-carboxylate
CID 58316134
tert-butyl 5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)indazole-1-carboxylate
CID 168585602
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-1-carboxylate;ethane
CID 168928563
dimethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389977

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane) (CID 160828162) is 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane) is CC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Clc1ncccc1-c1ccc2[nH]ncc2c1.Clc1ncccc1Br.[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 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)?
The InChIKey is SGLJSXHQTLBLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BN2O4.4C18H15P.C12H8ClN3.C5H3BrClN.Pd/c1-16(2,3)23-15(22)21-14-9-8-13(10-12(14)11-20-21)19-24-17(4,5)18(6,7)25-19;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12-10(2-1-5-14-12)8-3-4-11-9(6-8)7-15-16-11;6-4-2-1-3-8-5(4)7;/h8-11H,1-7H3;4*1-15H;1-7H,(H,15,16);1-3H;.
What are the key properties of 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane)?
3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1921.92 g/mol, XLogP of 22.67, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloropyridine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;5-(2-chloro-3-pyridinyl)-1H-indazole;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160828162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).