2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane)

C62H46BCl4IN8O2P2PdS2 — CID 159457550

About 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane)

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane) (PubChem CID 159457550) has the molecular formula C62H46BCl4IN8O2P2PdS2 and a molecular weight of 1447.13 g/mol. Its IUPAC name is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane)
• PubChem CID: 159457550
• Molecular Formula: C62H46BCl4IN8O2P2PdS2
• Molecular Weight: 1447.13 g/mol
• Exact Mass: 1443.96
• IUPAC Name: 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane)
• SMILES: Cl[Pd]Cl.Clc1ccc2ncc(-c3cc4ccncc4s3)n2n1.Clc1ccc2ncc(I)n2n1.OB(O)c1cc2ccncc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15P.C13H7ClN4S.C7H6BNO2S.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;14-12-1-2-13-16-6-9(18(13)17-12)10-5-8-3-4-15-7-11(8)19-10;10-8(11)7-3-5-1-2-9-4-6(5)12-7;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h2*1-15H;1-7H;1-4,10-11H;1-3H;2*1H;/q;;;;;;;+2/p-2
• InChIKey: LUEFEXHGKBTWPI-UHFFFAOYSA-L
• XLogP: 13.89
• TPSA: 126.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1447.13
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane)?

The IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane) (CID 159457550) is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane).

What is the SMILES notation for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane)?

The canonical SMILES for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane) is Cl[Pd]Cl.Clc1ccc2ncc(-c3cc4ccncc4s3)n2n1.Clc1ccc2ncc(I)n2n1.OB(O)c1cc2ccncc2s1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane)?

The InChIKey is LUEFEXHGKBTWPI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C13H7ClN4S.C7H6BNO2S.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;14-12-1-2-13-16-6-9(18(13)17-12)10-5-8-3-4-15-7-11(8)19-10;10-8(11)7-3-5-1-2-9-4-6(5)12-7;7-4-1-2-6-9-3-5(8)11(6)10-4;;;/h2*1-15H;1-7H;1-4,10-11H;1-3H;2*1H;/q;;;;;;;+2/p-2.

What are the key properties of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane)?

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane) has a molecular weight of 1447.13 g/mol, XLogP of 13.89, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;6-chloro-3-iodoimidazo[1,2-b]pyridazine;dichloropalladium;thieno[2,3-c]pyridin-2-ylboronic acid;bis(triphenylphosphane) is sourced from PubChem (CID 159457550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).