2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C19H22ClFN2OSi — CID 156845957

IUPAC2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(F)cc2)c2cc(Cl)cnc21
InChIInChI=1S/C19H22ClFN2OSi/c1-25(2,3)9-8-24-13-23-12-18(14-4-6-16(21)7-5-14)17-10-15(20)11-22-19(17)23/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyHCSJBEADDNQARW-UHFFFAOYSA-N
MW376.94 g/mol
LogP5.81
Rot. Bonds6

About 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156845957) has the molecular formula C19H22ClFN2OSi and a molecular weight of 376.94 g/mol. Its IUPAC name is 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID156845957
Molecular FormulaC19H22ClFN2OSi
Molecular Weight376.94 g/mol
Exact Mass376.12
IUPAC Name2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(F)cc2)c2cc(Cl)cnc21
InChIInChI=1S/C19H22ClFN2OSi/c1-25(2,3)9-8-24-13-23-12-18(14-4-6-16(21)7-5-14)17-10-15(20)11-22-19(17)23/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyHCSJBEADDNQARW-UHFFFAOYSA-N
XLogP5.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.94
LogP ≤ 55.81
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-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 156845957) is 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccc(F)cc2)c2cc(Cl)cnc21.
What is the InChIKey of 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HCSJBEADDNQARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2OSi/c1-25(2,3)9-8-24-13-23-12-18(14-4-6-16(21)7-5-14)17-10-15(20)11-22-19(17)23/h4-7,10-12H,8-9,13H2,1-3H3.
What are the key properties of 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 376.94 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156845957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).