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

C14H18ClF3N2OSi — CID 162760836

IUPAC2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(C(F)(F)F)cc2c(Cl)ccnc21
InChIInChI=1S/C14H18ClF3N2OSi/c1-22(2,3)7-6-21-9-20-12(14(16,17)18)8-10-11(15)4-5-19-13(10)20/h4-5,8H,6-7,9H2,1-3H3
InChIKeyNRROBXHAIRQCAH-UHFFFAOYSA-N
MW350.84 g/mol
LogP5.02
Rot. Bonds5

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

2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162760836) has the molecular formula C14H18ClF3N2OSi and a molecular weight of 350.84 g/mol. Its IUPAC name is 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID162760836
Molecular FormulaC14H18ClF3N2OSi
Molecular Weight350.84 g/mol
Exact Mass350.08
IUPAC Name2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(C(F)(F)F)cc2c(Cl)ccnc21
InChIInChI=1S/C14H18ClF3N2OSi/c1-22(2,3)7-6-21-9-20-12(14(16,17)18)8-10-11(15)4-5-19-13(10)20/h4-5,8H,6-7,9H2,1-3H3
InChIKeyNRROBXHAIRQCAH-UHFFFAOYSA-N
XLogP5.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.84
LogP ≤ 55.02
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-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 162760836) is 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(C(F)(F)F)cc2c(Cl)ccnc21.
What is the InChIKey of 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NRROBXHAIRQCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2OSi/c1-22(2,3)7-6-21-9-20-12(14(16,17)18)8-10-11(15)4-5-19-13(10)20/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 350.84 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162760836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).