methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate

C16H23BrN2O3Si — CID 140891564

IUPACmethyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate
SMILESCOC(=O)Cc1cn(COCC[Si](C)(C)C)c2nccc(Br)c12
InChIInChI=1S/C16H23BrN2O3Si/c1-21-14(20)9-12-10-19(11-22-7-8-23(2,3)4)16-15(12)13(17)5-6-18-16/h5-6,10H,7-9,11H2,1-4H3
InChIKeyZCWRGBCJFBSSBV-UHFFFAOYSA-N
MW399.36 g/mol
LogP3.83
Rot. Bonds7

About methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate

methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate (PubChem CID 140891564) has the molecular formula C16H23BrN2O3Si and a molecular weight of 399.36 g/mol. Its IUPAC name is methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate
PubChem CID140891564
Molecular FormulaC16H23BrN2O3Si
Molecular Weight399.36 g/mol
Exact Mass398.07
IUPAC Namemethyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate
SMILESCOC(=O)Cc1cn(COCC[Si](C)(C)C)c2nccc(Br)c12
InChIInChI=1S/C16H23BrN2O3Si/c1-21-14(20)9-12-10-19(11-22-7-8-23(2,3)4)16-15(12)13(17)5-6-18-16/h5-6,10H,7-9,11H2,1-4H3
InChIKeyZCWRGBCJFBSSBV-UHFFFAOYSA-N
XLogP3.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol
CID 150791440
2-[(4-chloro-3-ethylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 67502225
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
phenyl 2-[4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]acetate
CID 167614825
phenyl N-[4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]sulfanyl-3,5-difluorophenyl]carbamate
CID 142494818
methyl 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]sulfonylpropanoate
CID 166521495
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851
methyl (2S)-3-[4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 140891561
4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluoroaniline
CID 142494847
2-[[3-bromo-4-(3-fluoro-4-methylphenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174084948
(Z)-4-[4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-4-hydroxybut-3-en-2-one
CID 58395961
4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 137199432

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate (CID 140891564) is methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate is COC(=O)Cc1cn(COCC[Si](C)(C)C)c2nccc(Br)c12.
What is the InChIKey of methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate?
The InChIKey is ZCWRGBCJFBSSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3Si/c1-21-14(20)9-12-10-19(11-22-7-8-23(2,3)4)16-15(12)13(17)5-6-18-16/h5-6,10H,7-9,11H2,1-4H3.
What are the key properties of methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate?
methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate has a molecular weight of 399.36 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate is sourced from PubChem (CID 140891564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).