bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C90H70F11Ir5N15O6-6 — CID 159128049

IUPACbis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)(C)Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1c[c-]n(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(CC(C)(C)C)ccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H15F2N2.C15H15F2N2.2C11H6F2N.C9H5F3N3.C9H8N3.3C6H5NO2.5Ir/c1-17(2,3)10-11-7-8-21-14(9-11)12-5-6-13(18)16(20-4)15(12)19;1-15(2,3)9-10-6-7-18-12(8-10)11-4-5-13(16)19-14(11)17;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-8-5-7-12(11-8)9-4-2-3-6-10-9;3*8-6(9)5-3-1-2-4-7-5;;;;;/h6-9H,10H2,1-3H3;5-8H,9H2,1-3H3;2*1-4,6-7H;1-5H;2-6H,1H3;3*1-4H,(H,8,9);;;;;/q6*-1;;;;;;;;
InChIKeyVQIGRCJPJASFQL-UHFFFAOYSA-N
MW2627.71 g/mol
LogP20.25
Rot. Bonds11

About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159128049) has the molecular formula C90H70F11Ir5N15O6-6 and a molecular weight of 2627.71 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID159128049
Molecular FormulaC90H70F11Ir5N15O6-6
Molecular Weight2627.71 g/mol
Exact Mass2630.36
IUPAC Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)(C)Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1c[c-]n(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(CC(C)(C)C)ccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H15F2N2.C15H15F2N2.2C11H6F2N.C9H5F3N3.C9H8N3.3C6H5NO2.5Ir/c1-17(2,3)10-11-7-8-21-14(9-11)12-5-6-13(18)16(20-4)15(12)19;1-15(2,3)9-10-6-7-18-12(8-10)11-4-5-13(16)19-14(11)17;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-8-5-7-12(11-8)9-4-2-3-6-10-9;3*8-6(9)5-3-1-2-4-7-5;;;;;/h6-9H,10H2,1-3H3;5-8H,9H2,1-3H3;2*1-4,6-7H;1-5H;2-6H,1H3;3*1-4H,(H,8,9);;;;;/q6*-1;;;;;;;;
InChIKeyVQIGRCJPJASFQL-UHFFFAOYSA-N
XLogP20.25
TPSA289.97 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002627.71
LogP ≤ 520.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

iridium;5-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-1-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]ethyl]pyridine-2-carboxylic acid
CID 58620971
Iridium;6-[5-phenyl-1-pyridin-2-yl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pentyl]pyridine-2-carboxylic acid
CID 58620987
Iridium;6-[pyrazin-2-yl-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxylic acid;pyrrol-1-ide
CID 58621036
Iridium;6-[1-phenyl-5-pyrazin-2-yl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pentyl]pyridine-2-carboxylic acid
CID 58621490
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-carboxy-2-pyridinyl)-6-pyrimidin-2-ylpyridine-4-carboxylic acid;ruthenium(2+)
CID 144596631
2-(4,5-Diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;ZINC
CID 157093036
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157230279
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-3-amine;2-(2,4-difluorobenzene-6-id-1-yl)-3-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;heptakis(iridium);1-methyl-3-phenyl-2H-imidazol-2-ide;3-phenyl-1,2-dihydrobenzimidazol-2-ide;pyridine-2-carboxylic acid
CID 157257545
5-Isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methane;bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 157287078
CID 157318784
CID 157318784
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2-fluoroimidazol-3-id-4-yl)pyridine;2-(3-fluoropyrazol-1-id-5-yl)pyridine;2-(5-fluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pentakis(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157335050
CID 157348793
CID 157348793

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159128049) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(C)(C)Cc1ccnc(-c2[c-]cc(F)nc2F)c1.Cc1c[c-]n(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[C-]#[N+]c1c(F)c[c-]c(-c2cc(CC(C)(C)C)ccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is VQIGRCJPJASFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N2.C15H15F2N2.2C11H6F2N.C9H5F3N3.C9H8N3.3C6H5NO2.5Ir/c1-17(2,3)10-11-7-8-21-14(9-11)12-5-6-13(18)16(20-4)15(12)19;1-15(2,3)9-10-6-7-18-12(8-10)11-4-5-13(16)19-14(11)17;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-8-5-7-12(11-8)9-4-2-3-6-10-9;3*8-6(9)5-3-1-2-4-7-5;;;;;/h6-9H,10H2,1-3H3;5-8H,9H2,1-3H3;2*1-4,6-7H;1-5H;2-6H,1H3;3*1-4H,(H,8,9);;;;;/q6*-1;;;;;;;;.
What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2627.71 g/mol, XLogP of 20.25, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;pentakis(iridium);2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159128049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).