2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C20H25ClN2OSi — CID 157374933

IUPAC2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccccc1-c1cc2cnc(Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C20H25ClN2OSi/c1-15-7-5-6-8-17(15)19-11-16-13-22-20(21)12-18(16)23(19)14-24-9-10-25(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyBKFFOHZYPHFRAW-UHFFFAOYSA-N
MW372.97 g/mol
LogP5.98
Rot. Bonds6

About 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157374933) has the molecular formula C20H25ClN2OSi and a molecular weight of 372.97 g/mol. Its IUPAC name is 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID157374933
Molecular FormulaC20H25ClN2OSi
Molecular Weight372.97 g/mol
Exact Mass372.14
IUPAC Name2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccccc1-c1cc2cnc(Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C20H25ClN2OSi/c1-15-7-5-6-8-17(15)19-11-16-13-22-20(21)12-18(16)23(19)14-24-9-10-25(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyBKFFOHZYPHFRAW-UHFFFAOYSA-N
XLogP5.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.97
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
CID 169097833
2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 164564728
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
CID 175820295
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-[[3-(6-chloro-3-pyridinyl)-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 156674730
3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione
CID 10764648
2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 167374733
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane
CID 10621459

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 157374933) is 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1ccccc1-c1cc2cnc(Cl)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BKFFOHZYPHFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2OSi/c1-15-7-5-6-8-17(15)19-11-16-13-22-20(21)12-18(16)23(19)14-24-9-10-25(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3.
What are the key properties of 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 372.97 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157374933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).