2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine

C59H40Br2F9N19O3 — CID 159257320

About 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine

2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 159257320) has the molecular formula C59H40Br2F9N19O3 and a molecular weight of 1393.89 g/mol. Its IUPAC name is 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

• Compound Name: 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine
• PubChem CID: 159257320
• Molecular Formula: C59H40Br2F9N19O3
• Molecular Weight: 1393.89 g/mol
• Exact Mass: 1391.18
• IUPAC Name: 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine
• SMILES: COC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.FC(F)(F)c1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.Nc1ccnc(Br)c1
• InChI: InChI=1S/C19H14F3N7O2.C18H11F3N4O.C17H10BrF3N6.C5H5BrN2/c1-31-18(30)26-15-10-11(7-8-23-15)24-17-13-5-3-9-29(13)28-16(27-17)12-4-2-6-14(25-12)19(20,21)22;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;18-14-9-10(6-7-22-14)23-16-12-4-2-8-27(12)26-15(25-16)11-3-1-5-13(24-11)17(19,20)21;6-5-3-4(7)1-2-8-5/h2-10H,1H3,(H2,23,24,26,27,28,30);1-11H;1-9H,(H,22,23,25,26);1-3H,(H2,7,8)
• InChIKey: KWBHEFRNJRTRSJ-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 265.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.89
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine?

The IUPAC name of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine (CID 159257320) is 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine.

What is the SMILES notation for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine?

The canonical SMILES for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine is COC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.FC(F)(F)c1cccc(-c2nc(Nc3ccnc(Br)c3)c3cccn3n2)n1.FC(F)(F)c1cccc(-c2nc(Oc3ccccc3)c3cccn3n2)n1.Nc1ccnc(Br)c1.

What is the InChIKey of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine?

The InChIKey is KWBHEFRNJRTRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O2.C18H11F3N4O.C17H10BrF3N6.C5H5BrN2/c1-31-18(30)26-15-10-11(7-8-23-15)24-17-13-5-3-9-29(13)28-16(27-17)12-4-2-6-14(25-12)19(20,21)22;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;18-14-9-10(6-7-22-14)23-16-12-4-2-8-27(12)26-15(25-16)11-3-1-5-13(24-11)17(19,20)21;6-5-3-4(7)1-2-8-5/h2-10H,1H3,(H2,23,24,26,27,28,30);1-11H;1-9H,(H,22,23,25,26);1-3H,(H2,7,8).

What are the key properties of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine?

2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 1393.89 g/mol, XLogP of 14.87, 10 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]carbamate;4-phenoxy-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 159257320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).