3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium

C63H40Br4F10IrN17O6-5 — CID 162267571

About 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium

3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium (PubChem CID 162267571) has the molecular formula C63H40Br4F10IrN17O6-5 and a molecular weight of 1832.94 g/mol. Its IUPAC name is 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium.

Molecular Properties

• Compound Name: 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium
• PubChem CID: 162267571
• Molecular Formula: C63H40Br4F10IrN17O6-5
• Molecular Weight: 1832.94 g/mol
• Exact Mass: 1828.96
• IUPAC Name: 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium
• SMILES: Brc1cccc(Br)n1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(Oc2cccc(Oc3ccc(F)nc3F)n2)n[nH]1.Fc1c[c-]c(Oc2cccc(Oc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.Fc1ccc(Oc2cccc(Br)n2)c(F)n1.Oc1ccc(F)nc1Br.[Ir]
• InChI: InChI=1S/C15H14N5.C14H5F5N4O2.C14H10F2N4O2.C10H5BrF2N2O.C5H3Br2N.C5H3BrFNO.Ir/c1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;15-9-5-4-7(13(16)20-9)24-10-2-1-3-11(21-10)25-12-6-8(22-23-12)14(17,18)19;1-8-7-13(20-19-8)22-12-4-2-3-11(18-12)21-9-5-6-10(15)17-14(9)16;11-7-2-1-3-9(14-7)16-6-4-5-8(12)15-10(6)13;6-4-2-1-3-5(7)8-4;6-5-3(9)1-2-4(7)8-5;/h3-8,11-12H,1-2H3;1-3,5-6H;2-7H,1H3,(H,19,20);1-5H;1-3H;1-2,9H;/q-3;-2
• InChIKey: RJWZXCYNLVLDND-UHFFFAOYSA-N
• XLogP: 16.53
• TPSA: 261.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1832.94
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium?

The IUPAC name of 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium (CID 162267571) is 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium.

What is the SMILES notation for 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium?

The canonical SMILES for 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium is Brc1cccc(Br)n1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(Oc2cccc(Oc3ccc(F)nc3F)n2)n[nH]1.Fc1c[c-]c(Oc2cccc(Oc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.Fc1ccc(Oc2cccc(Br)n2)c(F)n1.Oc1ccc(F)nc1Br.[Ir].

What is the InChIKey of 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium?

The InChIKey is RJWZXCYNLVLDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N5.C14H5F5N4O2.C14H10F2N4O2.C10H5BrF2N2O.C5H3Br2N.C5H3BrFNO.Ir/c1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;15-9-5-4-7(13(16)20-9)24-10-2-1-3-11(21-10)25-12-6-8(22-23-12)14(17,18)19;1-8-7-13(20-19-8)22-12-4-2-3-11(18-12)21-9-5-6-10(15)17-14(9)16;11-7-2-1-3-9(14-7)16-6-4-5-8(12)15-10(6)13;6-4-2-1-3-5(7)8-4;6-5-3(9)1-2-4(7)8-5;/h3-8,11-12H,1-2H3;1-3,5-6H;2-7H,1H3,(H,19,20);1-5H;1-3H;1-2,9H;/q-3;-2;;;;;.

What are the key properties of 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium?

3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium has a molecular weight of 1832.94 g/mol, XLogP of 16.53, 12 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;2-bromo-6-fluoropyridin-3-ol;3-[(6-bromo-2-pyridinyl)oxy]-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]oxy]pyridine;2,6-difluoro-3-[[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]oxy]-4H-pyridin-4-ide;iridium is sourced from PubChem (CID 162267571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).