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

C21H24ClF3N2O2Si — CID 71272153

IUPAC2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cccc(-c2cc3c(Cl)c(C(F)(F)F)cnc3n2COCC[Si](C)(C)C)c1
InChIInChI=1S/C21H24ClF3N2O2Si/c1-28-15-7-5-6-14(10-15)18-11-16-19(22)17(21(23,24)25)12-26-20(16)27(18)13-29-8-9-30(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3
InChIKeyQEZGHTQZGXMMIZ-UHFFFAOYSA-N
MW456.97 g/mol
LogP6.70
Rot. Bonds7

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

2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 71272153) has the molecular formula C21H24ClF3N2O2Si and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID71272153
Molecular FormulaC21H24ClF3N2O2Si
Molecular Weight456.97 g/mol
Exact Mass456.12
IUPAC Name2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cccc(-c2cc3c(Cl)c(C(F)(F)F)cnc3n2COCC[Si](C)(C)C)c1
InChIInChI=1S/C21H24ClF3N2O2Si/c1-28-15-7-5-6-14(10-15)18-11-16-19(22)17(21(23,24)25)12-26-20(16)27(18)13-29-8-9-30(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3
InChIKeyQEZGHTQZGXMMIZ-UHFFFAOYSA-N
XLogP6.70
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.97
LogP ≤ 56.70
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-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 71272153) is 2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1cccc(-c2cc3c(Cl)c(C(F)(F)F)cnc3n2COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QEZGHTQZGXMMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF3N2O2Si/c1-28-15-7-5-6-14(10-15)18-11-16-19(22)17(21(23,24)25)12-26-20(16)27(18)13-29-8-9-30(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3.
What are the key properties of 2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 456.97 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(3-methoxyphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 71272153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).