6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium

C46H45F3Ir5N7O6RhS6-3 — CID 158491946

IUPAC6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium
SMILESCCCc1cccc(C(=S)[S-])n1.CCc1cccc(C(=S)[S-])n1.CCc1cncc(C(=O)O)n1.Cc1cc(CF)nc(C(=O)O)c1.O=C([S-])c1cccc(CF)n1.OC(=S)c1cccc(CF)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Rh]
InChIInChI=1S/C9H11NS2.C8H8FNO2.C8H9NS2.2C7H6FNOS.C7H8N2O2.5Ir.Rh/c1-2-4-7-5-3-6-8(10-7)9(11)12;1-5-2-6(4-9)10-7(3-5)8(11)12;1-2-6-4-3-5-7(9-6)8(10)11;2*8-4-5-2-1-3-6(9-5)7(10)11;1-2-5-3-8-4-6(9-5)7(10)11;;;;;;/h3,5-6H,2,4H2,1H3,(H,11,12);2-3H,4H2,1H3,(H,11,12);3-5H,2H2,1H3,(H,10,11);2*1-3H,4H2,(H,10,11);3-4H,2H2,1H3,(H,10,11);;;;;;/p-3
InChIKeyPRFHJXHMNUWMJT-UHFFFAOYSA-K
MW2105.30 g/mol
LogP9.43
Rot. Bonds13

About 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium

6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium (PubChem CID 158491946) has the molecular formula C46H45F3Ir5N7O6RhS6-3 and a molecular weight of 2105.30 g/mol. Its IUPAC name is 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium.

Molecular Properties

Compound Name6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium
PubChem CID158491946
Molecular FormulaC46H45F3Ir5N7O6RhS6-3
Molecular Weight2105.30 g/mol
Exact Mass2107.89
IUPAC Name6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium
SMILESCCCc1cccc(C(=S)[S-])n1.CCc1cccc(C(=S)[S-])n1.CCc1cncc(C(=O)O)n1.Cc1cc(CF)nc(C(=O)O)c1.O=C([S-])c1cccc(CF)n1.OC(=S)c1cccc(CF)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Rh]
InChIInChI=1S/C9H11NS2.C8H8FNO2.C8H9NS2.2C7H6FNOS.C7H8N2O2.5Ir.Rh/c1-2-4-7-5-3-6-8(10-7)9(11)12;1-5-2-6(4-9)10-7(3-5)8(11)12;1-2-6-4-3-5-7(9-6)8(10)11;2*8-4-5-2-1-3-6(9-5)7(10)11;1-2-5-3-8-4-6(9-5)7(10)11;;;;;;/h3,5-6H,2,4H2,1H3,(H,11,12);2-3H,4H2,1H3,(H,11,12);3-5H,2H2,1H3,(H,10,11);2*1-3H,4H2,(H,10,11);3-4H,2H2,1H3,(H,10,11);;;;;;/p-3
InChIKeyPRFHJXHMNUWMJT-UHFFFAOYSA-K
XLogP9.43
TPSA202.13 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002105.30
LogP ≤ 59.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium with MolForge

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Related Compounds

2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157109008
bis(2,6-dimethoxy-3-pyridin-2-yl-4H-pyridin-4-ide);bis(2,6-dimethoxy-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide);tetrakis(iridium);bis(6-methoxy-2-methyl-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(6-methoxy-2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide);tetrakis(pyridine-2-carboxylic acid)
CID 157304481
2-(2,4-difluorobenzene-6-id-1-yl)-4-fluoropyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(1,2-dihydropyrrol-2-id-3-yl)pyridine;2-(1,3-dihydropyrrol-3-id-4-yl)pyridine;4-fluoro-2-(4H-pyridin-4-id-3-yl)pyridine;decakis(iridium);2-methyl-6-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-yl-3H-pyridin-3-ide;4-pyridin-2-yl-3H-pyridin-3-ide;2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 157749869
[(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2,6-difluoro-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide;2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;tetrakis(iridium);iridium(3+);bis(pyridine-2-carboxylic acid);[C-pyridin-2-yl-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-pyridin-2-ylbut-1-enyl]azanide
CID 158026074
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 158305909
3,5-Diphenyl-2-phenylpyrazine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;pyridine-2-carboxylic acid
CID 158397144
2-dimethylphosphaniumylethyl(dimethyl)phosphanium;(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;pyrazine-2-carbodithioate;pyrazine-2-carboxylic acid;pyridine-2-carbodithioate;4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 158582206
3,5-Diphenyl-2-phenylpyrazine;2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine;tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;pyridine-2-carboxylic acid
CID 158711964
4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;pyridine-2-carboxylic acid;2-(3H-thiophen-3-id-2-yl)pyridine
CID 159011939
5-[(1S)-cyclohexa-2,4-dien-1-yl]-3-phenyl-2-phenylpyrazine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 159060068
10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;tris(iridium);tetrakis(pentane-2,4-diol);2-(phenylmethyl)pyridine;tris(2-phenylpyridine);tris(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine
CID 159282462
3-(3,3,4,4,5,5,6,6,7,7-Decafluoro-2-oxooctyl)pyridine-2-carboxylic acid;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;bis(iridium)
CID 159399189

Frequently Asked Questions

What is the IUPAC name of 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium?
The IUPAC name of 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium (CID 158491946) is 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium.
What is the SMILES notation for 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium?
The canonical SMILES for 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium is CCCc1cccc(C(=S)[S-])n1.CCc1cccc(C(=S)[S-])n1.CCc1cncc(C(=O)O)n1.Cc1cc(CF)nc(C(=O)O)c1.O=C([S-])c1cccc(CF)n1.OC(=S)c1cccc(CF)n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Rh].
What is the InChIKey of 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium?
The InChIKey is PRFHJXHMNUWMJT-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H11NS2.C8H8FNO2.C8H9NS2.2C7H6FNOS.C7H8N2O2.5Ir.Rh/c1-2-4-7-5-3-6-8(10-7)9(11)12;1-5-2-6(4-9)10-7(3-5)8(11)12;1-2-6-4-3-5-7(9-6)8(10)11;2*8-4-5-2-1-3-6(9-5)7(10)11;1-2-5-3-8-4-6(9-5)7(10)11;;;;;;/h3,5-6H,2,4H2,1H3,(H,11,12);2-3H,4H2,1H3,(H,11,12);3-5H,2H2,1H3,(H,10,11);2*1-3H,4H2,(H,10,11);3-4H,2H2,1H3,(H,10,11);;;;;;/p-3.
What are the key properties of 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium?
6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium has a molecular weight of 2105.30 g/mol, XLogP of 9.43, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylpyrazine-2-carboxylic acid;6-ethylpyridine-2-carbodithioate;6-(fluoromethyl)-4-methylpyridine-2-carboxylic acid;6-(fluoromethyl)pyridine-2-carbothioate;6-(fluoromethyl)pyridine-2-carbothioic O-acid;pentakis(iridium);6-propylpyridine-2-carbodithioate;rhodium is sourced from PubChem (CID 158491946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).