sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane

C26H43Cl3N4NaO2PSi2 — CID 158503432

IUPACsodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane
SMILESC[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(Cl)nccc21.Clc1nccc2[nH]ccc12.P.[H-].[Na+]
InChIInChI=1S/C13H19ClN2OSi.C7H5ClN2.C6H15ClOSi.Na.H3P.H/c1-18(2,3)9-8-17-10-16-7-5-11-12(16)4-6-15-13(11)14;8-7-5-1-3-9-6(5)2-4-10-7;1-9(2,3)5-4-8-6-7;;;/h4-7H,8-10H2,1-3H3;1-4,9H;4-6H2,1-3H3;;1H3;/q;;;+1;;-1
InChIKeyBGLJFAZYQRTINC-UHFFFAOYSA-N
MW660.15 g/mol
LogP5.93
Rot. Bonds9

About sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane

sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane (PubChem CID 158503432) has the molecular formula C26H43Cl3N4NaO2PSi2 and a molecular weight of 660.15 g/mol. Its IUPAC name is sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane.

Molecular Properties

Compound Namesodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane
PubChem CID158503432
Molecular FormulaC26H43Cl3N4NaO2PSi2
Molecular Weight660.15 g/mol
Exact Mass658.16
IUPAC Namesodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane
SMILESC[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(Cl)nccc21.Clc1nccc2[nH]ccc12.P.[H-].[Na+]
InChIInChI=1S/C13H19ClN2OSi.C7H5ClN2.C6H15ClOSi.Na.H3P.H/c1-18(2,3)9-8-17-10-16-7-5-11-12(16)4-6-15-13(11)14;8-7-5-1-3-9-6(5)2-4-10-7;1-9(2,3)5-4-8-6-7;;;/h4-7H,8-10H2,1-3H3;1-4,9H;4-6H2,1-3H3;;1H3;/q;;;+1;;-1
InChIKeyBGLJFAZYQRTINC-UHFFFAOYSA-N
XLogP5.93
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.15
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[(4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 163832201
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 140923764
2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 90117077
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 86676739
2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 66599709
2-[(6-chloro-4-nitroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 131736189
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl]silane
CID 169306021
2-[[2-[bis(1H-pyrrol-2-yl)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 11991092
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 170649361
2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 167528226

Frequently Asked Questions

What is the IUPAC name of sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane?
The IUPAC name of sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane (CID 158503432) is sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane.
What is the SMILES notation for sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane?
The canonical SMILES for sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane is C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ccc2c(Cl)nccc21.Clc1nccc2[nH]ccc12.P.[H-].[Na+].
What is the InChIKey of sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane?
The InChIKey is BGLJFAZYQRTINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OSi.C7H5ClN2.C6H15ClOSi.Na.H3P.H/c1-18(2,3)9-8-17-10-16-7-5-11-12(16)4-6-15-13(11)14;8-7-5-1-3-9-6(5)2-4-10-7;1-9(2,3)5-4-8-6-7;;;/h4-7H,8-10H2,1-3H3;1-4,9H;4-6H2,1-3H3;;1H3;/q;;;+1;;-1.
What are the key properties of sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane?
sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane has a molecular weight of 660.15 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(chloromethoxy)ethyl-trimethylsilane;4-chloro-1H-pyrrolo[3,2-c]pyridine;2-[(4-chloropyrrolo[3,2-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane;hydride;phosphane is sourced from PubChem (CID 158503432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).