2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)

C105H84F2Ir5N13O12OsPd-6 — CID 161118923

About 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)

2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) (PubChem CID 161118923) has the molecular formula C105H84F2Ir5N13O12OsPd-6 and a molecular weight of 3015.64 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)
• PubChem CID: 161118923
• Molecular Formula: C105H84F2Ir5N13O12OsPd-6
• Molecular Weight: 3015.64 g/mol
• Exact Mass: 3019.32
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)
• SMILES: CC(=O)C=C(C)O.CCn1cn[c-]c1-c1ccccn1.Cc1oc(-c2[c-]ccc3ccccc23)[n+]([O-])c1C.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[O-][n+]1ccccc1-c1[c-]cc(F)cc1F.[O-][n+]1ccccc1-c1[c-]cccc1.[O-][n+]1ccccc1-c1[c-]cccc1.[O-][n+]1ccn(-c2ccccc2)c1-c1[c-]cccc1.[Os+].[Pd].[c-]1ccn(-c2ccccc2)c1-c1ccccn1
• InChI: InChI=1S/C15H11N2O.C15H11N2.C15H12NO2.C11H6F2NO.2C11H8NO.C10H10N3.2C6H5NO2.C5H8O2.5Ir.Os.Pd/c18-17-12-11-16(14-9-5-2-6-10-14)15(17)13-7-3-1-4-8-13;1-2-7-13(8-3-1)17-12-6-10-15(17)14-9-4-5-11-16-14;1-10-11(2)18-15(16(10)17)14-9-5-7-12-6-3-4-8-13(12)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14(11)15;2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-13-8-11-7-10(13)9-5-3-4-6-12-9;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;;/h1-7,9-12H;1-9,11-12H;3-8H,1-2H3;1-4,6-7H;2*1-6,8-9H;3-6,8H,2H2,1H3;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;;;/q7*-1;;;;;;;;;+1
• InChIKey: HPZJKLIGIGYKCX-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 338.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3015.64
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) (CID 161118923) is 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) is CC(=O)C=C(C)O.CCn1cn[c-]c1-c1ccccn1.Cc1oc(-c2[c-]ccc3ccccc23)[n+]([O-])c1C.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[O-][n+]1ccccc1-c1[c-]cc(F)cc1F.[O-][n+]1ccccc1-c1[c-]cccc1.[O-][n+]1ccccc1-c1[c-]cccc1.[O-][n+]1ccn(-c2ccccc2)c1-c1[c-]cccc1.[Os+].[Pd].[c-]1ccn(-c2ccccc2)c1-c1ccccn1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)?

The InChIKey is HPZJKLIGIGYKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2O.C15H11N2.C15H12NO2.C11H6F2NO.2C11H8NO.C10H10N3.2C6H5NO2.C5H8O2.5Ir.Os.Pd/c18-17-12-11-16(14-9-5-2-6-10-14)15(17)13-7-3-1-4-8-13;1-2-7-13(8-3-1)17-12-6-10-15(17)14-9-4-5-11-16-14;1-10-11(2)18-15(16(10)17)14-9-5-7-12-6-3-4-8-13(12)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14(11)15;2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-13-8-11-7-10(13)9-5-3-4-6-12-9;2*8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;;/h1-7,9-12H;1-9,11-12H;3-8H,1-2H3;1-4,6-7H;2*1-6,8-9H;3-6,8H,2H2,1H3;2*1-4H,(H,8,9);3,6H,1-2H3;;;;;;;/q7*-1;;;;;;;;;+1;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid)?

2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) has a molecular weight of 3015.64 g/mol, XLogP of 19.05, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-1-oxidopyridin-1-ium;4,5-dimethyl-2-(2H-naphthalen-2-id-1-yl)-3-oxido-1,3-oxazol-3-ium;2-(1-ethyl-4H-imidazol-4-id-5-yl)pyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);osmium(1+);1-oxido-3-phenyl-2-phenylimidazol-1-ium;bis(1-oxido-2-phenylpyridin-1-ium);palladium;2-(1-phenyl-3H-pyrrol-3-id-2-yl)pyridine;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 161118923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).