2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C13H18BrFN2OSi — CID 146169699

IUPAC2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Br)c2c(F)ccnc21
InChIInChI=1S/C13H18BrFN2OSi/c1-19(2,3)7-6-18-9-17-8-10(14)12-11(15)4-5-16-13(12)17/h4-5,8H,6-7,9H2,1-3H3
InChIKeyKNJRCMPGGLNCET-UHFFFAOYSA-N
MW345.29 g/mol
LogP4.25
Rot. Bonds5

About 2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 146169699) has the molecular formula C13H18BrFN2OSi and a molecular weight of 345.29 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID146169699
Molecular FormulaC13H18BrFN2OSi
Molecular Weight345.29 g/mol
Exact Mass344.04
IUPAC Name2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Br)c2c(F)ccnc21
InChIInChI=1S/C13H18BrFN2OSi/c1-19(2,3)7-6-18-9-17-8-10(14)12-11(15)4-5-16-13(12)17/h4-5,8H,6-7,9H2,1-3H3
InChIKeyKNJRCMPGGLNCET-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-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 146169699) is 2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(Br)c2c(F)ccnc21.
What is the InChIKey of 2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is KNJRCMPGGLNCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2OSi/c1-19(2,3)7-6-18-9-17-8-10(14)12-11(15)4-5-16-13(12)17/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3-bromo-4-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-[(3-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 146169699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).