2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C104H63F25Ir5N20O5-10 — CID 161022610

IUPAC2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESCOc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1n[n-]c(-c2ccccn2)c1F.Fc1n[n-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C12H6F4NO.C12H8F2NO.3C12H9FNO.C10H4F6N3.2C9H5F3N3.2C8H4F2N3.5Ir/c1-18-6-2-3-17-9(4-6)7-5-8(13)11(15)12(16)10(7)14;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;3*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;/h2-4H,1H3;2,4-7H,1H3;3*2,4-8H,1H3;1-4H;2*1-5H;2*1-4H;;;;;/q10*-1;;;;;
InChIKeyZQLISPILGONIAV-UHFFFAOYSA-N
MW3108.82 g/mol
LogP24.16
Rot. Bonds15

About 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 161022610) has the molecular formula C104H63F25Ir5N20O5-10 and a molecular weight of 3108.82 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Name2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID161022610
Molecular FormulaC104H63F25Ir5N20O5-10
Molecular Weight3108.82 g/mol
Exact Mass3111.31
IUPAC Name2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESCOc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1n[n-]c(-c2ccccn2)c1F.Fc1n[n-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C12H6F4NO.C12H8F2NO.3C12H9FNO.C10H4F6N3.2C9H5F3N3.2C8H4F2N3.5Ir/c1-18-6-2-3-17-9(4-6)7-5-8(13)11(15)12(16)10(7)14;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;3*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;/h2-4H,1H3;2,4-7H,1H3;3*2,4-8H,1H3;1-4H;2*1-5H;2*1-4H;;;;;/q10*-1;;;;;
InChIKeyZQLISPILGONIAV-UHFFFAOYSA-N
XLogP24.16
TPSA310.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003108.82
LogP ≤ 524.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) with MolForge

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Related Compounds

2-(2,4-Difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807370
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807371
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807372
2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 20807382
2-[2,3-Bis(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;iridium
CID 59656771
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 140692180
2-(2,4-Difluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 140692225
3,6-Ditert-butyl-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-3-pyridinyl]carbazole;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140700986
N,N-bis(4-pentylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701046
N,N-bis(4-tert-butylphenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]aniline;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701066
3,6-Ditert-butyl-9-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701117
N,N-bis(4-pentylphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140701148

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 161022610) is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is COc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1n[n-]c(-c2ccccn2)c1F.Fc1n[n-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is ZQLISPILGONIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4NO.C12H8F2NO.3C12H9FNO.C10H4F6N3.2C9H5F3N3.2C8H4F2N3.5Ir/c1-18-6-2-3-17-9(4-6)7-5-8(13)11(15)12(16)10(7)14;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;3*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;/h2-4H,1H3;2,4-7H,1H3;3*2,4-8H,1H3;1-4H;2*1-5H;2*1-4H;;;;;/q10*-1;;;;;.
What are the key properties of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 3108.82 g/mol, XLogP of 24.16, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 161022610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).