6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)

C68H58BCl4IN8O2P2Pd — CID 158303222

About 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)

6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane) (PubChem CID 158303222) has the molecular formula C68H58BCl4IN8O2P2Pd and a molecular weight of 1467.16 g/mol. Its IUPAC name is 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)
• PubChem CID: 158303222
• Molecular Formula: C68H58BCl4IN8O2P2Pd
• Molecular Weight: 1467.16 g/mol
• Exact Mass: 1464.11
• IUPAC Name: 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)
• SMILES: Cc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.Cc1ccc2c(c1)cc(B(O)O)n2C.Cl[Pd]Cl.Clc1ccc2ncc(I)n2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15P.C16H13ClN4.C10H12BNO2.C6H3ClIN3.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16;1-7-3-4-9-8(5-7)6-10(11(13)14)12(9)2;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h2*1-15H;3-9H,1-2H3;3-6,13-14H,1-2H3;1-3H;2*1H;/q;;;;;;;+2/p-2
• InChIKey: GMTFOYABLNNIJL-UHFFFAOYSA-L
• XLogP: 14.27
• TPSA: 110.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.16
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)?

The IUPAC name of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane) (CID 158303222) is 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane).

What is the SMILES notation for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)?

The canonical SMILES for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane) is Cc1ccc2c(c1)cc(-c1cnc3ccc(Cl)nn13)n2C.Cc1ccc2c(c1)cc(B(O)O)n2C.Cl[Pd]Cl.Clc1ccc2ncc(I)n2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)?

The InChIKey is GMTFOYABLNNIJL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C16H13ClN4.C10H12BNO2.C6H3ClIN3.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-3-4-12-11(7-10)8-13(20(12)2)14-9-18-16-6-5-15(17)19-21(14)16;1-7-3-4-9-8(5-7)6-10(11(13)14)12(9)2;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h2*1-15H;3-9H,1-2H3;3-6,13-14H,1-2H3;1-3H;2*1H;/q;;;;;;;+2/p-2.

What are the key properties of 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane)?

6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane) has a molecular weight of 1467.16 g/mol, XLogP of 14.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(1,5-dimethylindol-2-yl)imidazo[1,2-b]pyridazine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;(1,5-dimethylindol-2-yl)boronic acid;bis(triphenylphosphane) is sourced from PubChem (CID 158303222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).