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

C108H144BCl4FIIrN11NaO2P2Pd+ — CID 162258552

IUPACsodium;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
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.CC(C)CI.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2cc(Cl)ncc2n1CC(C)C.Cl[Pd]Cl.[2H]CF.[C-]#[N+]c1cc[c-]c(-c2cc3cc(C)n(CC(C)C)c3cn2)c1.[C-]#[N+]c1cccc(-c2cc3cc(C)n(CC(C)C)c3cn2)c1.[C-]#[N+]c1cccc(B2OCCO2)c1.[H-].[Ir].[Na+]
InChIInChI=1S/C19H19N3.C19H18N3.2C18H31P.C12H15ClN2.C9H8BNO2.C8H7ClN2.C4H9I.CH3F.2ClH.Ir.Na.Pd.H/c2*1-13(2)12-22-14(3)8-16-10-18(21-11-19(16)22)15-6-5-7-17(9-15)20-4;2*1-16(2,3)14-10-12-15(13-11-14)19(17(4,5)6)18(7,8)9;1-8(2)7-15-9(3)4-10-5-12(13)14-6-11(10)15;1-11-9-4-2-3-8(7-9)10-12-5-6-13-10;1-5-2-6-3-8(9)10-4-7(6)11-5;1-4(2)3-5;1-2;;;;;;/h5-11,13H,12H2,1-3H3;5,7-11,13H,12H2,1-3H3;2*10-13H,1-9H3;4-6,8H,7H2,1-3H3;2-4,7H,5-6H2;2-4,11H,1H3;4H,3H2,1-2H3;1H3;2*1H;;;;/q;-1;;;;;;;;;;;+1;+2;-1/i;;;;;;;;1D;;;;;;
InChIKeyAXNGIVBUXHZCLQ-SMRISJSNSA-N
MW2311.52 g/mol
LogP29.39
Rot. Bonds12

About 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

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 (PubChem CID 162258552) has the molecular formula C108H144BCl4FIIrN11NaO2P2Pd+ and a molecular weight of 2311.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namesodium;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
PubChem CID162258552
Molecular FormulaC108H144BCl4FIIrN11NaO2P2Pd+
Molecular Weight2311.52 g/mol
Exact Mass2308.75
IUPAC Namesodium;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
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.CC(C)CI.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2cc(Cl)ncc2n1CC(C)C.Cl[Pd]Cl.[2H]CF.[C-]#[N+]c1cc[c-]c(-c2cc3cc(C)n(CC(C)C)c3cn2)c1.[C-]#[N+]c1cccc(-c2cc3cc(C)n(CC(C)C)c3cn2)c1.[C-]#[N+]c1cccc(B2OCCO2)c1.[H-].[Ir].[Na+]
InChIInChI=1S/C19H19N3.C19H18N3.2C18H31P.C12H15ClN2.C9H8BNO2.C8H7ClN2.C4H9I.CH3F.2ClH.Ir.Na.Pd.H/c2*1-13(2)12-22-14(3)8-16-10-18(21-11-19(16)22)15-6-5-7-17(9-15)20-4;2*1-16(2,3)14-10-12-15(13-11-14)19(17(4,5)6)18(7,8)9;1-8(2)7-15-9(3)4-10-5-12(13)14-6-11(10)15;1-11-9-4-2-3-8(7-9)10-12-5-6-13-10;1-5-2-6-3-8(9)10-4-7(6)11-5;1-4(2)3-5;1-2;;;;;;/h5-11,13H,12H2,1-3H3;5,7-11,13H,12H2,1-3H3;2*10-13H,1-9H3;4-6,8H,7H2,1-3H3;2-4,7H,5-6H2;2-4,11H,1H3;4H,3H2,1-2H3;1H3;2*1H;;;;/q;-1;;;;;;;;;;;+1;+2;-1/i;;;;;;;;1D;;;;;;
InChIKeyAXNGIVBUXHZCLQ-SMRISJSNSA-N
XLogP29.39
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002311.52
LogP ≤ 529.39
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-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 with MolForge

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Related Compounds

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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.CC(C)CI.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2cc(Cl)ncc2n1CC(C)C.Cl[Pd]Cl.[2H]CF.[C-]#[N+]c1cc[c-]c(-c2cc3cc(C)n(CC(C)C)c3cn2)c1.[C-]#[N+]c1cccc(-c2cc3cc(C)n(CC(C)C)c3cn2)c1.[C-]#[N+]c1cccc(B2OCCO2)c1.[H-].[Ir].[Na+].
What is the InChIKey of 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?
The InChIKey is AXNGIVBUXHZCLQ-SMRISJSNSA-N. The full InChI is InChI=1S/C19H19N3.C19H18N3.2C18H31P.C12H15ClN2.C9H8BNO2.C8H7ClN2.C4H9I.CH3F.2ClH.Ir.Na.Pd.H/c2*1-13(2)12-22-14(3)8-16-10-18(21-11-19(16)22)15-6-5-7-17(9-15)20-4;2*1-16(2,3)14-10-12-15(13-11-14)19(17(4,5)6)18(7,8)9;1-8(2)7-15-9(3)4-10-5-12(13)14-6-11(10)15;1-11-9-4-2-3-8(7-9)10-12-5-6-13-10;1-5-2-6-3-8(9)10-4-7(6)11-5;1-4(2)3-5;1-2;;;;;;/h5-11,13H,12H2,1-3H3;5,7-11,13H,12H2,1-3H3;2*10-13H,1-9H3;4-6,8H,7H2,1-3H3;2-4,7H,5-6H2;2-4,11H,1H3;4H,3H2,1-2H3;1H3;2*1H;;;;/q;-1;;;;;;;;;;;+1;+2;-1/i;;;;;;;;1D;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2311.52 g/mol, XLogP of 29.39, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162258552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).