2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C20H20F5IN2O2Si — CID 146992251

About 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 146992251) has the molecular formula C20H20F5IN2O2Si and a molecular weight of 570.37 g/mol. Its IUPAC name is 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 146992251
• Molecular Formula: C20H20F5IN2O2Si
• Molecular Weight: 570.37 g/mol
• Exact Mass: 570.03
• IUPAC Name: 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Oc3c(F)cc(I)cc3F)ccnc21
• InChI: InChI=1S/C20H20F5IN2O2Si/c1-31(2,3)7-6-29-11-28-10-13(20(23,24)25)17-16(4-5-27-19(17)28)30-18-14(21)8-12(26)9-15(18)22/h4-5,8-10H,6-7,11H2,1-3H3
• InChIKey: AQKLNDGCMDVWGC-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 36.28 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.37
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 146992251) is 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Oc3c(F)cc(I)cc3F)ccnc21.

What is the InChIKey of 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is AQKLNDGCMDVWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5IN2O2Si/c1-31(2,3)7-6-29-11-28-10-13(20(23,24)25)17-16(4-5-27-19(17)28)30-18-14(21)8-12(26)9-15(18)22/h4-5,8-10H,6-7,11H2,1-3H3.

What are the key properties of 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 570.37 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(2,6-difluoro-4-iodophenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 146992251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).