2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)

C119H101BrF5N13OP4PdSn — CID 158733767

About 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)

2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane) (PubChem CID 158733767) has the molecular formula C119H101BrF5N13OP4PdSn and a molecular weight of 2253.13 g/mol. Its IUPAC name is 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)
• PubChem CID: 158733767
• Molecular Formula: C119H101BrF5N13OP4PdSn
• Molecular Weight: 2253.13 g/mol
• Exact Mass: 2251.44
• IUPAC Name: 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)
• SMILES: C[Sn](C)(C)C.Fc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1.Fc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.Fc1cccc(Br)n1.Nc1ccncc1F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/4C18H15P.C17H11FN4O.C16H10F2N6.C5H3BrFN.C5H5FN2.4CH3.Pd.Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-15-10-4-8-13(19-15)16-20-17(14-9-5-11-22(14)21-16)23-12-6-2-1-3-7-12;17-10-9-19-7-6-11(10)21-16-13-4-2-8-24(13)23-15(22-16)12-3-1-5-14(18)20-12;6-4-2-1-3-5(7)8-4;6-4-3-8-2-1-5(4)7;;;;;;/h4*1-15H;1-11H;1-9H,(H,19,21,22,23);1-3H;1-3H,(H2,7,8);4*1H3
• InChIKey: ILKMATZOAQRGTP-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 172.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2253.13
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)?

The IUPAC name of 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane) (CID 158733767) is 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane).

What is the SMILES notation for 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)?

The canonical SMILES for 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane) is C[Sn](C)(C)C.Fc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1.Fc1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.Fc1cccc(Br)n1.Nc1ccncc1F.[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-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)?

The InChIKey is ILKMATZOAQRGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C17H11FN4O.C16H10F2N6.C5H3BrFN.C5H5FN2.4CH3.Pd.Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-15-10-4-8-13(19-15)16-20-17(14-9-5-11-22(14)21-16)23-12-6-2-1-3-7-12;17-10-9-19-7-6-11(10)21-16-13-4-2-8-24(13)23-15(22-16)12-3-1-5-14(18)20-12;6-4-2-1-3-5(7)8-4;6-4-3-8-2-1-5(4)7;;;;;;/h4*1-15H;1-11H;1-9H,(H,19,21,22,23);1-3H;1-3H,(H2,7,8);4*1H3;;.

What are the key properties of 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane)?

2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane) has a molecular weight of 2253.13 g/mol, XLogP of 25.45, 18 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-fluoropyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;palladium;tetramethylstannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158733767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).