2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C139H97F3Ir5N20-10 — CID 158443961

IUPAC2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1cc(-c2ccccn2)[n-]n1.Cc1nc(-c2ccccn2)[n-]c1C.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.c1ccc(-c2ncc[n-]2)nc1.c1ccc(C2=NCC[N-]2)nc1
InChIInChI=1S/5C19H12N.C10H10N3.C9H5F3N3.C9H8N3.C8H8N3.C8H6N3.5Ir/c5*1-3-9-16-14(6-1)8-5-10-17(16)19-13-12-15-7-2-4-11-18(15)20-19;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-2-4-9-7(3-1)8-10-5-6-11-8;;;;;/h5*1-9,11-13H;3-6H,1-2H3;1-5H;2-6H,1H3;1-4H,5-6H2;1-6H;;;;;/q10*-1;;;;;
InChIKeyKNVKPYCUERIUSV-UHFFFAOYSA-N
MW3065.52 g/mol
LogP31.83
Rot. Bonds10

About 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158443961) has the molecular formula C139H97F3Ir5N20-10 and a molecular weight of 3065.52 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158443961
Molecular FormulaC139H97F3Ir5N20-10
Molecular Weight3065.52 g/mol
Exact Mass3067.64
IUPAC Name2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1cc(-c2ccccn2)[n-]n1.Cc1nc(-c2ccccn2)[n-]c1C.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.c1ccc(-c2ncc[n-]2)nc1.c1ccc(C2=NCC[N-]2)nc1
InChIInChI=1S/5C19H12N.C10H10N3.C9H5F3N3.C9H8N3.C8H8N3.C8H6N3.5Ir/c5*1-3-9-16-14(6-1)8-5-10-17(16)19-13-12-15-7-2-4-11-18(15)20-19;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-2-4-9-7(3-1)8-10-5-6-11-8;;;;;/h5*1-9,11-13H;3-6H,1-2H3;1-5H;2-6H,1H3;1-4H,5-6H2;1-6H;;;;;/q10*-1;;;;;
InChIKeyKNVKPYCUERIUSV-UHFFFAOYSA-N
XLogP31.83
TPSA263.32 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003065.52
LogP ≤ 531.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)
CID 59010562
2-Methyl-1-[2-[2-[6-phenyl-2-(2-phenylphenyl)-3-pyridinyl]phenyl]phenyl]benzimidazole;3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
CID 91366751
2-[2-[5-[2-[2-[1,1-difluoro-2-(5H-imidazo[2,1-a]isoindol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1,1-difluoroethyl]-5H-imidazo[2,1-a]isoindole
CID 123428996
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-16-methyl-4,9,16-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 123631446
2-[1-fluoro-2-[5-[2-[2-[1-fluoro-2-(5H-imidazo[2,1-a]isoindol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-5H-imidazo[2,1-a]isoindole
CID 123701571
12-[2-[7,8-Diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-22-ethyl-6,9,22-triaza-11-azoniahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 123704958
2-[2-[6-[2-[2-[6-[2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]quinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-3-fluoroquinolin-6-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]ethyl]-7,8-dimethylquinoline
CID 124036193
3-Fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137391920
1-Methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
CID 140775464
1-Methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-(2-methylpropyl)-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
CID 140775499
1-Methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
CID 140775502
1-[(4R,5S)-5-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[(4R,5S)-5-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methyl-1-quinolin-4-ylpiperidin-2-yl]-4-methylpiperidin-1-yl]-8-methylisoquinoline
CID 142341233

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158443961) is 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1cc(-c2ccccn2)[n-]n1.Cc1nc(-c2ccccn2)[n-]c1C.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.c1ccc(-c2ncc[n-]2)nc1.c1ccc(C2=NCC[N-]2)nc1.
What is the InChIKey of 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is KNVKPYCUERIUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/5C19H12N.C10H10N3.C9H5F3N3.C9H8N3.C8H8N3.C8H6N3.5Ir/c5*1-3-9-16-14(6-1)8-5-10-17(16)19-13-12-15-7-2-4-11-18(15)20-19;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-2-4-9-7(3-1)8-10-5-6-11-8;;;;;/h5*1-9,11-13H;3-6H,1-2H3;1-5H;2-6H,1H3;1-4H,5-6H2;1-6H;;;;;/q10*-1;;;;;.
What are the key properties of 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3065.52 g/mol, XLogP of 31.83, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-3-id-2-yl)pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;2-imidazol-3-id-2-ylpyridine;pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;pentakis(2-(2H-naphthalen-2-id-1-yl)quinoline);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158443961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).