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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C81H62F11Ir4N12O6-5 — CID 159109777

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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)(C)Cc1ccnc(-c2[c-]cc(F)nc2F)c1.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]
InChIInChI=1S/C17H15F2N2.C15H15F2N2.2C11H6F2N.C9H5F3N3.3C6H5NO2.4Ir/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;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;3*1-4H,(H,8,9);;;;/q5*-1;;;;;;;
InChIKeyQWCIFQGMNSMRFD-UHFFFAOYSA-N
MW2277.31 g/mol
LogP18.88
Rot. Bonds10

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;tetrakis(iridium);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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159109777) has the molecular formula C81H62F11Ir4N12O6-5 and a molecular weight of 2277.31 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;tetrakis(iridium);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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID159109777
Molecular FormulaC81H62F11Ir4N12O6-5
Molecular Weight2277.31 g/mol
Exact Mass2279.33
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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(C)(C)Cc1ccnc(-c2[c-]cc(F)nc2F)c1.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]
InChIInChI=1S/C17H15F2N2.C15H15F2N2.2C11H6F2N.C9H5F3N3.3C6H5NO2.4Ir/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;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;3*1-4H,(H,8,9);;;;/q5*-1;;;;;;;
InChIKeyQWCIFQGMNSMRFD-UHFFFAOYSA-N
XLogP18.88
TPSA259.26 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002277.31
LogP ≤ 518.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 23568218
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;ruthenium(1+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510475
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-(4-Carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)
CID 144596543
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+)
CID 144596555
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-[2-(4-tert-butylphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);thiocyanate
CID 145155869
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);thiocyanate
CID 145155885
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ethane;5-(5-ethylselenophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);thiocyanate
CID 145155890
2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-[(E)-2-(4-tert-butylphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);thiocyanate
CID 145155913

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;tetrakis(iridium);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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159109777) 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;tetrakis(iridium);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;tetrakis(iridium);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;tetrakis(iridium);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.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].
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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is QWCIFQGMNSMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N2.C15H15F2N2.2C11H6F2N.C9H5F3N3.3C6H5NO2.4Ir/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;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;3*1-4H,(H,8,9);;;;/q5*-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;tetrakis(iridium);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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2277.31 g/mol, XLogP of 18.88, 10 rotatable bonds, 3 hydrogen bond donors, and 13 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;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159109777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).