2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C13H18BrFN2OSi — CID 142746836

IUPAC2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(F)c2cc(Br)cnc21
InChIInChI=1S/C13H18BrFN2OSi/c1-19(2,3)5-4-18-9-17-8-12(15)11-6-10(14)7-16-13(11)17/h6-8H,4-5,9H2,1-3H3
InChIKeyOMQUBPHPPUYSTF-UHFFFAOYSA-N
MW345.29 g/mol
LogP4.25
Rot. Bonds5

About 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 142746836) has the molecular formula C13H18BrFN2OSi and a molecular weight of 345.29 g/mol. Its IUPAC name is 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID142746836
Molecular FormulaC13H18BrFN2OSi
Molecular Weight345.29 g/mol
Exact Mass344.04
IUPAC Name2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(F)c2cc(Br)cnc21
InChIInChI=1S/C13H18BrFN2OSi/c1-19(2,3)5-4-18-9-17-8-12(15)11-6-10(14)7-16-13(11)17/h6-8H,4-5,9H2,1-3H3
InChIKeyOMQUBPHPPUYSTF-UHFFFAOYSA-N
XLogP4.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 54.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 142746836) is 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(F)c2cc(Br)cnc21.
What is the InChIKey of 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is OMQUBPHPPUYSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2OSi/c1-19(2,3)5-4-18-9-17-8-12(15)11-6-10(14)7-16-13(11)17/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 345.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142746836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).