azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C130H141F4Ir3N12O16-15 — CID 158011145

About azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 158011145) has the molecular formula C130H141F4Ir3N12O16-15 and a molecular weight of 2780.27 g/mol. Its IUPAC name is azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

• Compound Name: azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
• PubChem CID: 158011145
• Molecular Formula: C130H141F4Ir3N12O16-15
• Molecular Weight: 2780.27 g/mol
• Exact Mass: 2780.95
• IUPAC Name: azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
• SMILES: O=C(COC(=O)C1CC2C=CC1C2)OCc1c[c-]c(-c2ccccn2)cc1.O=C(COC(=O)C1CC2C=CC1C2)OCc1ccc(-c2ccccn2)cc1.O=C(OCC1CC2C=CC1C2)c1c(F)c[c-]c(-c2ccccn2)c1F.O=C(OCC1CC2C=CC1C2)c1c(F)ccc(-c2ccccn2)c1F.O=C(OCc1c[c-]c(-c2ccccn2)cc1)C1CC2C=CC1C2.O=C(OCc1ccc(-c2ccccn2)cc1)C1CC2C=CC1C2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
• InChI: InChI=1S/C22H21NO4.C22H20NO4.C20H17F2NO2.C20H16F2NO2.C20H19NO2.C20H18NO2.6CH3.3Ir.6H2N/c2*24-21(14-27-22(25)19-12-16-6-9-18(19)11-16)26-13-15-4-7-17(8-5-15)20-3-1-2-10-23-20;2*21-16-7-6-15(17-3-1-2-8-23-17)19(22)18(16)20(24)25-11-14-10-12-4-5-13(14)9-12;2*22-20(18-12-15-6-9-17(18)11-15)23-13-14-4-7-16(8-5-14)19-3-1-2-10-21-19;;;;;;;;;;;;;;;/h1-10,16,18-19H,11-14H2;1-7,9-10,16,18-19H,11-14H2;1-8,12-14H,9-11H2;1-5,7-8,12-14H,9-11H2;1-10,15,17-18H,11-13H2;1-7,9-10,15,17-18H,11-13H2;6*1H3;;;;6*1H2/q;-1;;-1;;7*-1;;;;6*-1
• InChIKey: CGMGXFQNGAAKOD-UHFFFAOYSA-N
• XLogP: 30.29
• TPSA: 488.74 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2780.27
LogP ≤ 5	30.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?

The IUPAC name of azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 158011145) is azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

What is the SMILES notation for azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?

The canonical SMILES for azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is O=C(COC(=O)C1CC2C=CC1C2)OCc1c[c-]c(-c2ccccn2)cc1.O=C(COC(=O)C1CC2C=CC1C2)OCc1ccc(-c2ccccn2)cc1.O=C(OCC1CC2C=CC1C2)c1c(F)c[c-]c(-c2ccccn2)c1F.O=C(OCC1CC2C=CC1C2)c1c(F)ccc(-c2ccccn2)c1F.O=C(OCc1c[c-]c(-c2ccccn2)cc1)C1CC2C=CC1C2.O=C(OCc1ccc(-c2ccccn2)cc1)C1CC2C=CC1C2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].

What is the InChIKey of azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?

The InChIKey is CGMGXFQNGAAKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4.C22H20NO4.C20H17F2NO2.C20H16F2NO2.C20H19NO2.C20H18NO2.6CH3.3Ir.6H2N/c2*24-21(14-27-22(25)19-12-16-6-9-18(19)11-16)26-13-15-4-7-17(8-5-15)20-3-1-2-10-23-20;2*21-16-7-6-15(17-3-1-2-8-23-17)19(22)18(16)20(24)25-11-14-10-12-4-5-13(14)9-12;2*22-20(18-12-15-6-9-17(18)11-15)23-13-14-4-7-16(8-5-14)19-3-1-2-10-21-19;;;;;;;;;;;;;;;/h1-10,16,18-19H,11-14H2;1-7,9-10,16,18-19H,11-14H2;1-8,12-14H,9-11H2;1-5,7-8,12-14H,9-11H2;1-10,15,17-18H,11-13H2;1-7,9-10,15,17-18H,11-13H2;6*1H3;;;;6*1H2/q;-1;;-1;;7*-1;;;;6*-1.

What are the key properties of azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?

azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 2780.27 g/mol, XLogP of 30.29, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for azanide;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carboxylate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,6-difluoro-3-pyridin-2-ylbenzoate;carbanide;tris(iridium);[2-oxo-2-[(4-pyridin-2-ylbenzene-5-id-1-yl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;[2-oxo-2-[(4-pyridin-2-ylphenyl)methoxy]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylbenzene-5-id-1-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate;(4-pyridin-2-ylphenyl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 158011145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).