2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone

C96H69BrClF9N28O6 — CID 158746496

About 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone

2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone (PubChem CID 158746496) has the molecular formula C96H69BrClF9N28O6 and a molecular weight of 1997.14 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone
• PubChem CID: 158746496
• Molecular Formula: C96H69BrClF9N28O6
• Molecular Weight: 1997.14 g/mol
• Exact Mass: 1994.47
• IUPAC Name: 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone
• SMILES: CC(=O)c1ccn2nc(-c3ccc(F)cn3)nc(Nc3ccncc3F)c12.CC(=O)c1ccn2nc(-c3ccc(F)cn3)nc(Oc3ccccc3)c12.CC(=O)c1ccn2nc(Cl)nc(Oc3ccccc3)c12.CCc1ccn2nc(-c3ccc(F)cn3)nc(Nc3ccncc3F)c12.Fc1ccc(Br)nc1.Nc1ccncc1F.OCc1ccn2nc(-c3ccc(F)cn3)nc(Nc3ccncc3F)c12
• InChI: InChI=1S/C19H13FN4O2.C18H12F2N6O.C18H14F2N6.C17H12F2N6O.C14H10ClN3O2.C5H3BrFN.C5H5FN2/c1-12(25)15-9-10-24-17(15)19(26-14-5-3-2-4-6-14)22-18(23-24)16-8-7-13(20)11-21-16;1-10(27)12-5-7-26-16(12)18(23-14-4-6-21-9-13(14)20)24-17(25-26)15-3-2-11(19)8-22-15;1-2-11-6-8-26-16(11)18(23-14-5-7-21-10-13(14)20)24-17(25-26)15-4-3-12(19)9-22-15;18-11-1-2-14(21-7-11)16-23-17(22-13-3-5-20-8-12(13)19)15-10(9-26)4-6-25(15)24-16;1-9(19)11-7-8-18-12(11)13(16-14(15)17-18)20-10-5-3-2-4-6-10;6-5-2-1-4(7)3-8-5;6-4-3-8-2-1-5(4)7/h2-11H,1H3;2-9H,1H3,(H,21,23,24,25);3-10H,2H2,1H3,(H,21,23,24,25);1-8,26H,9H2,(H,20,22,23,24);2-8H,1H3;1-3H;1-3H,(H2,7,8)
• InChIKey: IMYLLLUANCSVHM-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 418.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.14
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone?

The IUPAC name of 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone (CID 158746496) is 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone.

What is the SMILES notation for 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone?

The canonical SMILES for 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone is CC(=O)c1ccn2nc(-c3ccc(F)cn3)nc(Nc3ccncc3F)c12.CC(=O)c1ccn2nc(-c3ccc(F)cn3)nc(Oc3ccccc3)c12.CC(=O)c1ccn2nc(Cl)nc(Oc3ccccc3)c12.CCc1ccn2nc(-c3ccc(F)cn3)nc(Nc3ccncc3F)c12.Fc1ccc(Br)nc1.Nc1ccncc1F.OCc1ccn2nc(-c3ccc(F)cn3)nc(Nc3ccncc3F)c12.

What is the InChIKey of 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone?

The InChIKey is IMYLLLUANCSVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2.C18H12F2N6O.C18H14F2N6.C17H12F2N6O.C14H10ClN3O2.C5H3BrFN.C5H5FN2/c1-12(25)15-9-10-24-17(15)19(26-14-5-3-2-4-6-14)22-18(23-24)16-8-7-13(20)11-21-16;1-10(27)12-5-7-26-16(12)18(23-14-4-6-21-9-13(14)20)24-17(25-26)15-3-2-11(19)8-22-15;1-2-11-6-8-26-16(11)18(23-14-5-7-21-10-13(14)20)24-17(25-26)15-4-3-12(19)9-22-15;18-11-1-2-14(21-7-11)16-23-17(22-13-3-5-20-8-12(13)19)15-10(9-26)4-6-25(15)24-16;1-9(19)11-7-8-18-12(11)13(16-14(15)17-18)20-10-5-3-2-4-6-10;6-5-2-1-4(7)3-8-5;6-4-3-8-2-1-5(4)7/h2-11H,1H3;2-9H,1H3,(H,21,23,24,25);3-10H,2H2,1H3,(H,21,23,24,25);1-8,26H,9H2,(H,20,22,23,24);2-8H,1H3;1-3H;1-3H,(H2,7,8).

What are the key properties of 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone?

2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone has a molecular weight of 1997.14 g/mol, XLogP of 19.97, 19 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridine;1-(2-chloro-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;3-fluoropyridin-4-amine;1-[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone;[2-(5-fluoro-2-pyridinyl)-4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[2-(5-fluoro-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]ethanone is sourced from PubChem (CID 158746496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).