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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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).