sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C103H134BCl4FIIrN11NaO2P2Pd+ — CID 158003534

IUPACsodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)c1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1.CC(C)(C)c1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1.CI.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2cc(Cl)ncc2n1C.Cl[Pd]Cl.[2H]CF.[C-]#[N+]c1cc(-c2cc3cc(C)n(C)c3cn2)[c-]cc1C.[C-]#[N+]c1cc(-c2cc3cc(C)n(C)c3cn2)ccc1C.[C-]#[N+]c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C.[H-].[Ir].[Na+]
InChIInChI=1S/2C18H31P.C17H15N3.C17H14N3.C14H18BNO2.C9H9ClN2.C8H7ClN2.CH3F.CH3I.2ClH.Ir.Na.Pd.H/c2*1-16(2,3)14-10-12-15(13-11-14)19(17(4,5)6)18(7,8)9;2*1-11-5-6-13(8-15(11)18-3)16-9-14-7-12(2)20(4)17(14)10-19-16;1-10-7-8-11(9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-6-3-7-4-9(10)11-5-8(7)12(6)2;1-5-2-6-3-8(9)10-4-7(6)11-5;2*1-2;;;;;;/h2*10-13H,1-9H3;5-10H,1-2,4H3;5,7-10H,1-2,4H3;7-9H,1-5H3;3-5H,1-2H3;2-4,11H,1H3;2*1H3;2*1H;;;;/q;;;-1;;;;;;;;;+1;+2;-1/i;;;;;;;1D;;;;;;;
InChIKeyVNMVCNCDGYPBLR-CCYOTSRMSA-N
MW2241.39 g/mol
LogP27.49
Rot. Bonds5

About sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158003534) has the molecular formula C103H134BCl4FIIrN11NaO2P2Pd+ and a molecular weight of 2241.39 g/mol. Its IUPAC name is sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namesodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID158003534
Molecular FormulaC103H134BCl4FIIrN11NaO2P2Pd+
Molecular Weight2241.39 g/mol
Exact Mass2238.67
IUPAC Namesodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)c1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1.CC(C)(C)c1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1.CI.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2cc(Cl)ncc2n1C.Cl[Pd]Cl.[2H]CF.[C-]#[N+]c1cc(-c2cc3cc(C)n(C)c3cn2)[c-]cc1C.[C-]#[N+]c1cc(-c2cc3cc(C)n(C)c3cn2)ccc1C.[C-]#[N+]c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C.[H-].[Ir].[Na+]
InChIInChI=1S/2C18H31P.C17H15N3.C17H14N3.C14H18BNO2.C9H9ClN2.C8H7ClN2.CH3F.CH3I.2ClH.Ir.Na.Pd.H/c2*1-16(2,3)14-10-12-15(13-11-14)19(17(4,5)6)18(7,8)9;2*1-11-5-6-13(8-15(11)18-3)16-9-14-7-12(2)20(4)17(14)10-19-16;1-10-7-8-11(9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-6-3-7-4-9(10)11-5-8(7)12(6)2;1-5-2-6-3-8(9)10-4-7(6)11-5;2*1-2;;;;;;/h2*10-13H,1-9H3;5-10H,1-2,4H3;5,7-10H,1-2,4H3;7-9H,1-5H3;3-5H,1-2H3;2-4,11H,1H3;2*1H3;2*1H;;;;/q;;;-1;;;;;;;;;+1;+2;-1/i;;;;;;;1D;;;;;;;
InChIKeyVNMVCNCDGYPBLR-CCYOTSRMSA-N
XLogP27.49
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002241.39
LogP ≤ 527.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(2-[3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]aniline);1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 159306425
carbanide;3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(2-[3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]aniline);1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;triiodovanadium;bis(vanadium)
CID 161267043
sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;1,2-dimethyl-5-phenylpyrrolo[2,3-c]pyridine;1,2-dimethyl-5-phenylpyrrolo[2,3-c]pyridine;hydride;iodomethane;iridium;phenylboronic acid
CID 161624172
sodium;5-chloro-2-methyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;1-iodo-2-methylpropane;iridium;5-(3-isocyanobenzene-6-id-1-yl)-2-methyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine;2-(3-isocyanophenyl)-1,3,2-dioxaborolane;5-(3-isocyanophenyl)-2-methyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 162258552

Frequently Asked Questions

What is the IUPAC name of sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158003534) is sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)c1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1.CC(C)(C)c1ccc([PH+](C(C)(C)C)C(C)(C)C)cc1.CI.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2cc(Cl)ncc2n1C.Cl[Pd]Cl.[2H]CF.[C-]#[N+]c1cc(-c2cc3cc(C)n(C)c3cn2)[c-]cc1C.[C-]#[N+]c1cc(-c2cc3cc(C)n(C)c3cn2)ccc1C.[C-]#[N+]c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C.[H-].[Ir].[Na+].
What is the InChIKey of sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VNMVCNCDGYPBLR-CCYOTSRMSA-N. The full InChI is InChI=1S/2C18H31P.C17H15N3.C17H14N3.C14H18BNO2.C9H9ClN2.C8H7ClN2.CH3F.CH3I.2ClH.Ir.Na.Pd.H/c2*1-16(2,3)14-10-12-15(13-11-14)19(17(4,5)6)18(7,8)9;2*1-11-5-6-13(8-15(11)18-3)16-9-14-7-12(2)20(4)17(14)10-19-16;1-10-7-8-11(9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-6-3-7-4-9(10)11-5-8(7)12(6)2;1-5-2-6-3-8(9)10-4-7(6)11-5;2*1-2;;;;;;/h2*10-13H,1-9H3;5-10H,1-2,4H3;5,7-10H,1-2,4H3;7-9H,1-5H3;3-5H,1-2H3;2-4,11H,1H3;2*1H3;2*1H;;;;/q;;;-1;;;;;;;;;+1;+2;-1/i;;;;;;;1D;;;;;;;.
What are the key properties of sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2241.39 g/mol, XLogP of 27.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-chloro-1,2-dimethylpyrrolo[2,3-c]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;deuterio(fluoro)methane;bis(ditert-butyl-(4-tert-butylphenyl)phosphanium);dichloropalladium;hydride;iodomethane;iridium;5-(3-isocyano-4-methylbenzene-6-id-1-yl)-1,2-dimethylpyrrolo[2,3-c]pyridine;5-(3-isocyano-4-methylphenyl)-1,2-dimethylpyrrolo[2,3-c]pyridine;2-(3-isocyano-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158003534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).