3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)

C96H86B2Br2Cl2F2IN15O4P2Pd — CID 158975752

About 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)

3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane) (PubChem CID 158975752) has the molecular formula C96H86B2Br2Cl2F2IN15O4P2Pd and a molecular weight of 2099.45 g/mol. Its IUPAC name is 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane).

Molecular Properties

• Compound Name: 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)
• PubChem CID: 158975752
• Molecular Formula: C96H86B2Br2Cl2F2IN15O4P2Pd
• Molecular Weight: 2099.45 g/mol
• Exact Mass: 2095.24
• IUPAC Name: 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)
• SMILES: Brc1cncc(I)c1.C.Cl[Pd]Cl.Cn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4nccnc34)c2)cn1.Cn1cc(-c2cncc(Br)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.OB(O)c1cc(-c2ccccc2F)nc2nccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H15FN6.2C18H15P.C13H9BFN3O2.C10H17BN2O2.C9H8BrN3.C5H3BrIN.CH4.2ClH.Pd/c1-29-13-16(12-27-29)14-8-15(11-24-10-14)18-9-20(17-4-2-3-5-19(17)23)28-22-21(18)25-6-7-26-22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-10-4-2-1-3-8(10)11-7-9(14(19)20)12-13(18-11)17-6-5-16-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-13-6-8(4-12-13)7-2-9(10)5-11-3-7;6-4-1-5(7)3-8-2-4;;;;/h2-13H,1H3;2*1-15H;1-7,19-20H;6-7H,1-5H3;2-6H,1H3;1-3H;1H4;2*1H;/q;;;;;;;;;;+2/p-2
• InChIKey: JOJHFZBQLXQYGJ-UHFFFAOYSA-L
• XLogP: 19.12
• TPSA: 228.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2099.45
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)?

The IUPAC name of 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane) (CID 158975752) is 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane).

What is the SMILES notation for 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)?

The canonical SMILES for 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane) is Brc1cncc(I)c1.C.Cl[Pd]Cl.Cn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4nccnc34)c2)cn1.Cn1cc(-c2cncc(Br)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.OB(O)c1cc(-c2ccccc2F)nc2nccnc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)?

The InChIKey is JOJHFZBQLXQYGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H15FN6.2C18H15P.C13H9BFN3O2.C10H17BN2O2.C9H8BrN3.C5H3BrIN.CH4.2ClH.Pd/c1-29-13-16(12-27-29)14-8-15(11-24-10-14)18-9-20(17-4-2-3-5-19(17)23)28-22-21(18)25-6-7-26-22;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-10-4-2-1-3-8(10)11-7-9(14(19)20)12-13(18-11)17-6-5-16-12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-13-6-8(4-12-13)7-2-9(10)5-11-3-7;6-4-1-5(7)3-8-2-4;;;;/h2-13H,1H3;2*1-15H;1-7,19-20H;6-7H,1-5H3;2-6H,1H3;1-3H;1H4;2*1H;/q;;;;;;;;;;+2/p-2.

What are the key properties of 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane)?

3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane) has a molecular weight of 2099.45 g/mol, XLogP of 19.12, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-iodopyridine;3-bromo-5-(1-methylpyrazol-4-yl)pyridine;dichloropalladium;6-(2-fluorophenyl)-8-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine;[6-(2-fluorophenyl)pyrido[2,3-b]pyrazin-8-yl]boronic acid;methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;bis(triphenylphosphane) is sourced from PubChem (CID 158975752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).