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

C63H41BBr4F10IrN17O4-5 — CID 162267569

IUPAC3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;(2-bromo-6-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium
SMILESBrc1cccc(Br)n1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(Oc2cccc(-c3ccc(F)nc3F)n2)n[nH]1.Fc1c[c-]c(-c2cccc(Oc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.Fc1ccc(-c2cccc(Br)n2)c(F)n1.OB(O)c1ccc(F)nc1Br.[Ir]
InChIInChI=1S/C15H14N5.C14H5F5N4O.C14H10F2N4O.C10H5BrF2N2.C5H4BBrFNO2.C5H3Br2N.Ir/c1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;15-10-5-4-7(13(16)21-10)8-2-1-3-11(20-8)24-12-6-9(22-23-12)14(17,18)19;1-8-7-13(20-19-8)21-12-4-2-3-10(17-12)9-5-6-11(15)18-14(9)16;11-8-3-1-2-7(14-8)6-4-5-9(12)15-10(6)13;7-5-3(6(10)11)1-2-4(8)9-5;6-4-2-1-3-5(7)8-4;/h3-8,11-12H,1-2H3;1-3,5-6H;2-7H,1H3,(H,19,20);1-5H;1-2,10-11H;1-3H;/q-3;-2;;;;;
InChIKeyZXAXKBXONOZBDK-UHFFFAOYSA-N
MW1812.76 g/mol
LogP14.13
Rot. Bonds10

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

3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;(2-bromo-6-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium (PubChem CID 162267569) has the molecular formula C63H41BBr4F10IrN17O4-5 and a molecular weight of 1812.76 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-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium.

Molecular Properties

Compound Name3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;(2-bromo-6-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium
PubChem CID162267569
Molecular FormulaC63H41BBr4F10IrN17O4-5
Molecular Weight1812.76 g/mol
Exact Mass1808.99
IUPAC Name3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;(2-bromo-6-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium
SMILESBrc1cccc(Br)n1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C#N)c2)[CH-]1.Cc1cc(Oc2cccc(-c3ccc(F)nc3F)n2)n[nH]1.Fc1c[c-]c(-c2cccc(Oc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.Fc1ccc(-c2cccc(Br)n2)c(F)n1.OB(O)c1ccc(F)nc1Br.[Ir]
InChIInChI=1S/C15H14N5.C14H5F5N4O.C14H10F2N4O.C10H5BrF2N2.C5H4BBrFNO2.C5H3Br2N.Ir/c1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;15-10-5-4-7(13(16)21-10)8-2-1-3-11(20-8)24-12-6-9(22-23-12)14(17,18)19;1-8-7-13(20-19-8)21-12-4-2-3-10(17-12)9-5-6-11(15)18-14(9)16;11-8-3-1-2-7(14-8)6-4-5-9(12)15-10(6)13;7-5-3(6(10)11)1-2-4(8)9-5;6-4-2-1-3-5(7)8-4;/h3-8,11-12H,1-2H3;1-3,5-6H;2-7H,1H3,(H,19,20);1-5H;1-2,10-11H;1-3H;/q-3;-2;;;;;
InChIKeyZXAXKBXONOZBDK-UHFFFAOYSA-N
XLogP14.13
TPSA254.46 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.76
LogP ≤ 514.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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

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Related Compounds

tetrakis(3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile);[6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[6-[(2,6-difluoro-4H-pyridin-4-id-3-yl)oxy]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;tetrakis(iridium)
CID 158282993
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

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-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-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-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium (CID 162267569) is 3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;(2-bromo-6-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-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-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-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-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-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(-c3ccc(F)nc3F)n2)n[nH]1.Fc1c[c-]c(-c2cccc(Oc3cc(C(F)(F)F)n[n-]3)n2)c(F)n1.Fc1ccc(-c2cccc(Br)n2)c(F)n1.OB(O)c1ccc(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-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium?
The InChIKey is ZXAXKBXONOZBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N5.C14H5F5N4O.C14H10F2N4O.C10H5BrF2N2.C5H4BBrFNO2.C5H3Br2N.Ir/c1-17-3-5-19(11-17)14-7-13(10-16)8-15(9-14)20-6-4-18(2)12-20;15-10-5-4-7(13(16)21-10)8-2-1-3-11(20-8)24-12-6-9(22-23-12)14(17,18)19;1-8-7-13(20-19-8)21-12-4-2-3-10(17-12)9-5-6-11(15)18-14(9)16;11-8-3-1-2-7(14-8)6-4-5-9(12)15-10(6)13;7-5-3(6(10)11)1-2-4(8)9-5;6-4-2-1-3-5(7)8-4;/h3-8,11-12H,1-2H3;1-3,5-6H;2-7H,1H3,(H,19,20);1-5H;1-2,10-11H;1-3H;/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-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium?
3,5-bis(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-ide-1-carbonitrile;(2-bromo-6-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium has a molecular weight of 1812.76 g/mol, XLogP of 14.13, 10 rotatable bonds, 3 hydrogen bond donors, and 19 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-fluoro-3-pyridinyl)boronic acid;3-(6-bromo-2-pyridinyl)-2,6-difluoropyridine;2,6-dibromopyridine;2,6-difluoro-3-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]pyridine;2,6-difluoro-3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-4H-pyridin-4-ide;iridium is sourced from PubChem (CID 162267569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).