2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)

C137H123BrF9N15OP4PdSn — CID 159207080

About 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)

2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane) (PubChem CID 159207080) has the molecular formula C137H123BrF9N15OP4PdSn and a molecular weight of 2595.51 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)
• PubChem CID: 159207080
• Molecular Formula: C137H123BrF9N15OP4PdSn
• Molecular Weight: 2595.51 g/mol
• Exact Mass: 2593.61
• IUPAC Name: 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)
• SMILES: CCCC[Sn](C)(CCCC)CCCC.FC(F)(F)c1cccc(-c2nc(Nc3ccnc4cccnc34)c3cccn3n2)n1.FC(F)(F)c1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.FC(F)(F)c1cccc(Br)n1.Nc1ccnc2cccnc12.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C20H12F3N7.C18H11F3N4O.4C18H15P.C8H7N3.C6H3BrF3N.3C4H9.CH3.Pd.Sn/c21-20(22,23)16-7-1-4-14(26-16)18-28-19(15-6-3-11-30(15)29-18)27-13-8-10-24-12-5-2-9-25-17(12)13;19-18(20,21)15-10-4-8-13(22-15)16-23-17(14-9-5-11-25(14)24-16)26-12-6-2-1-3-7-12;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-6-3-5-10-7-2-1-4-11-8(6)7;7-5-3-1-2-4(11-5)6(8,9)10;3*1-3-4-2;;;/h1-11H,(H,24,27,28,29);1-11H;4*1-15H;1-5H,(H2,9,10);1-3H;3*1,3-4H2,2H3;1H3
• InChIKey: KQACFAMQEICPQU-UHFFFAOYSA-N
• XLogP: 32.42
• TPSA: 197.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 27
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2595.51
LogP ≤ 5	32.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)?

The IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane) (CID 159207080) is 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane).

What is the SMILES notation for 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)?

The canonical SMILES for 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane) is CCCC[Sn](C)(CCCC)CCCC.FC(F)(F)c1cccc(-c2nc(Nc3ccnc4cccnc34)c3cccn3n2)n1.FC(F)(F)c1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.FC(F)(F)c1cccc(Br)n1.Nc1ccnc2cccnc12.[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 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)?

The InChIKey is KQACFAMQEICPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N7.C18H11F3N4O.4C18H15P.C8H7N3.C6H3BrF3N.3C4H9.CH3.Pd.Sn/c21-20(22,23)16-7-1-4-14(26-16)18-28-19(15-6-3-11-30(15)29-18)27-13-8-10-24-12-5-2-9-25-17(12)13;19-18(20,21)15-10-4-8-13(22-15)16-23-17(14-9-5-11-25(14)24-16)26-12-6-2-1-3-7-12;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-6-3-5-10-7-2-1-4-11-8(6)7;7-5-3-1-2-4(11-5)6(8,9)10;3*1-3-4-2;;;/h1-11H,(H,24,27,28,29);1-11H;4*1-15H;1-5H,(H2,9,10);1-3H;3*1,3-4H2,2H3;1H3;;.

What are the key properties of 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane)?

2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane) has a molecular weight of 2595.51 g/mol, XLogP of 32.42, 27 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(trifluoromethyl)pyridine;1,5-naphthyridin-4-amine;palladium;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine;tributyl(methyl)stannane;N-[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1,5-naphthyridin-4-amine;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159207080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).