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)

C102H88BCl2IN6O2P4Pd — CID 162110993

IUPAC6-(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)
SMILESCC1(C)OB(c2cccnc2Cl)OC1(C)C.Clc1ncccc1-c1ccc2nccn2c1.Ic1ccc2nccn2c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C12H8ClN3.C11H15BClNO2.C7H5IN2.Pd/c4*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(2-1-5-15-12)9-3-4-11-14-6-7-16(11)8-9;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;8-6-1-2-7-9-3-4-10(7)5-6;/h4*1-15H;1-8H;5-7H,1-4H3;1-5H;
InChIKeyZGDNFFOEUSDGMM-UHFFFAOYSA-N
MW1868.80 g/mol
LogP20.80
Rot. Bonds14

About 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)

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) (PubChem CID 162110993) has the molecular formula C102H88BCl2IN6O2P4Pd and a molecular weight of 1868.80 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name6-(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)
PubChem CID162110993
Molecular FormulaC102H88BCl2IN6O2P4Pd
Molecular Weight1868.80 g/mol
Exact Mass1866.35
IUPAC Name6-(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)
SMILESCC1(C)OB(c2cccnc2Cl)OC1(C)C.Clc1ncccc1-c1ccc2nccn2c1.Ic1ccc2nccn2c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C12H8ClN3.C11H15BClNO2.C7H5IN2.Pd/c4*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(2-1-5-15-12)9-3-4-11-14-6-7-16(11)8-9;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;8-6-1-2-7-9-3-4-10(7)5-6;/h4*1-15H;1-8H;5-7H,1-4H3;1-5H;
InChIKeyZGDNFFOEUSDGMM-UHFFFAOYSA-N
XLogP20.80
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001868.80
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC1(C)OB(c2cccnc2Cl)OC1(C)C.Clc1ncccc1-c1ccc2nccn2c1.Ic1ccc2nccn2c1.[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 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)?
The InChIKey is ZGDNFFOEUSDGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C12H8ClN3.C11H15BClNO2.C7H5IN2.Pd/c4*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(2-1-5-15-12)9-3-4-11-14-6-7-16(11)8-9;1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13;8-6-1-2-7-9-3-4-10(7)5-6;/h4*1-15H;1-8H;5-7H,1-4H3;1-5H;.
What are the key properties of 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)?
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) has a molecular weight of 1868.80 g/mol, XLogP of 20.80, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 162110993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).