2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C14H21BrN2O2Si — CID 141388912

IUPAC2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1nccc2c(Br)cn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C14H21BrN2O2Si/c1-18-14-13-11(5-6-16-14)12(15)9-17(13)10-19-7-8-20(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyCTUVAFPENZOZDN-UHFFFAOYSA-N
MW357.32 g/mol
LogP4.12
Rot. Bonds6

About 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 141388912) has the molecular formula C14H21BrN2O2Si and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID141388912
Molecular FormulaC14H21BrN2O2Si
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1nccc2c(Br)cn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C14H21BrN2O2Si/c1-18-14-13-11(5-6-16-14)12(15)9-17(13)10-19-7-8-20(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyCTUVAFPENZOZDN-UHFFFAOYSA-N
XLogP4.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 66599709
2-[(3-bromo-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane
CID 141466960
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 172608788
2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 90117077
methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate
CID 140891564
4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
CID 131747440
4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluoroaniline
CID 142494847
2-[[5-bromo-2-(3,3-dimethylbutyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 168774100
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane
CID 167375991

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 141388912) is 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane is COc1nccc2c(Br)cn(COCC[Si](C)(C)C)c12.
What is the InChIKey of 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is CTUVAFPENZOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2Si/c1-18-14-13-11(5-6-16-14)12(15)9-17(13)10-19-7-8-20(2,3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 357.32 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 141388912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).