2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C19H22BrFN2O2Si — CID 90117077

IUPAC2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(Oc3ccc(Br)c(F)c3)nccc21
InChIInChI=1S/C19H22BrFN2O2Si/c1-26(2,3)11-10-24-13-23-9-7-15-18(23)6-8-22-19(15)25-14-4-5-16(20)17(21)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyCVAYFBPPGPVVPQ-UHFFFAOYSA-N
MW437.39 g/mol
LogP6.04
Rot. Bonds7

About 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90117077) has the molecular formula C19H22BrFN2O2Si and a molecular weight of 437.39 g/mol. Its IUPAC name is 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90117077
Molecular FormulaC19H22BrFN2O2Si
Molecular Weight437.39 g/mol
Exact Mass436.06
IUPAC Name2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(Oc3ccc(Br)c(F)c3)nccc21
InChIInChI=1S/C19H22BrFN2O2Si/c1-26(2,3)11-10-24-13-23-9-7-15-18(23)6-8-22-19(15)25-14-4-5-16(20)17(21)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyCVAYFBPPGPVVPQ-UHFFFAOYSA-N
XLogP6.04
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.39
LogP ≤ 56.04
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

4-(4-bromo-3-fluorophenoxy)-1-(12,12-dimethyltridecoxymethyl)pyrrolo[3,2-c]pyridine
CID 151372924
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 66599709
2-[[3-bromo-4-(3-fluoro-4-methylphenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174084948
2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 141388912
4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluoroaniline
CID 142494847
[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine
CID 86762617
4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine
CID 65201517
2-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 154675122
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 90117077) is 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(Oc3ccc(Br)c(F)c3)nccc21.
What is the InChIKey of 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CVAYFBPPGPVVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O2Si/c1-26(2,3)11-10-24-13-23-9-7-15-18(23)6-8-22-19(15)25-14-4-5-16(20)17(21)12-14/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 437.39 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90117077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).