6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)

C66H52BCl4IN6O2P2PdS2 — CID 159158093

About 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)

6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) (PubChem CID 159158093) has the molecular formula C66H52BCl4IN6O2P2PdS2 and a molecular weight of 1473.21 g/mol. Its IUPAC name is 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)
• PubChem CID: 159158093
• Molecular Formula: C66H52BCl4IN6O2P2PdS2
• Molecular Weight: 1473.21 g/mol
• Exact Mass: 1470.00
• IUPAC Name: 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)
• SMILES: Cc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12.Cc1cccc2cc(B(O)O)sc12.Cl[Pd]Cl.Clc1ccc2ncc(I)n2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15P.C15H10ClN3S.C9H9BO2S.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;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14;1-6-3-2-4-7-5-8(10(11)12)13-9(6)7;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h2*1-15H;2-8H,1H3;2-5,11-12H,1H3;1-3H;2*1H;/q;;;;;;;+2/p-2
• InChIKey: KKDIZSGKHDVSHZ-UHFFFAOYSA-L
• XLogP: 15.72
• TPSA: 100.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1473.21
LogP ≤ 5	15.72
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-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)?

The IUPAC name of 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) (CID 159158093) is 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane).

What is the SMILES notation for 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)?

The canonical SMILES for 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) is Cc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12.Cc1cccc2cc(B(O)O)sc12.Cl[Pd]Cl.Clc1ccc2ncc(I)n2n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)?

The InChIKey is KKDIZSGKHDVSHZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C15H10ClN3S.C9H9BO2S.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;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14;1-6-3-2-4-7-5-8(10(11)12)13-9(6)7;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h2*1-15H;2-8H,1H3;2-5,11-12H,1H3;1-3H;2*1H;/q;;;;;;;+2/p-2.

What are the key properties of 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane)?

6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) has a molecular weight of 1473.21 g/mol, XLogP of 15.72, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-iodoimidazo[1,2-b]pyridazine;6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;dichloropalladium;(7-methyl-1-benzothiophen-2-yl)boronic acid;bis(triphenylphosphane) is sourced from PubChem (CID 159158093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).