2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C13H18ClIN2OSi — CID 174596817

IUPAC2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Cl)c(I)c2cccnc21
InChIInChI=1S/C13H18ClIN2OSi/c1-19(2,3)8-7-18-9-17-12(14)11(15)10-5-4-6-16-13(10)17/h4-6H,7-9H2,1-3H3
InChIKeyDKQIQQVOYIUBDA-UHFFFAOYSA-N
MW408.74 g/mol
LogP4.61
Rot. Bonds5

About 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 174596817) has the molecular formula C13H18ClIN2OSi and a molecular weight of 408.74 g/mol. Its IUPAC name is 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID174596817
Molecular FormulaC13H18ClIN2OSi
Molecular Weight408.74 g/mol
Exact Mass407.99
IUPAC Name2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Cl)c(I)c2cccnc21
InChIInChI=1S/C13H18ClIN2OSi/c1-19(2,3)8-7-18-9-17-12(14)11(15)10-5-4-6-16-13(10)17/h4-6H,7-9H2,1-3H3
InChIKeyDKQIQQVOYIUBDA-UHFFFAOYSA-N
XLogP4.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.74
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 21081676
2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 171106231
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 156716995
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
2-[(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 77230728
4-chloro-2-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 171614713
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
CID 58577628
2-[[5-chloro-2-(5-fluoro-2-pyridinyl)-4-iodoimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176706396

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 174596817) is 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(Cl)c(I)c2cccnc21.
What is the InChIKey of 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is DKQIQQVOYIUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2OSi/c1-19(2,3)8-7-18-9-17-12(14)11(15)10-5-4-6-16-13(10)17/h4-6H,7-9H2,1-3H3.
What are the key properties of 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 408.74 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 174596817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).