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

C21H23F5N2O2Si — CID 142494690

IUPAC2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(F)c(Oc2ccnc3c2c(C(F)(F)F)cn3COCC[Si](C)(C)C)c(F)c1
InChIInChI=1S/C21H23F5N2O2Si/c1-13-9-15(22)19(16(23)10-13)30-17-5-6-27-20-18(17)14(21(24,25)26)11-28(20)12-29-7-8-31(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyKNDMVRJTAIZWBU-UHFFFAOYSA-N
MW458.50 g/mol
LogP6.75
Rot. Bonds7

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

2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 142494690) has the molecular formula C21H23F5N2O2Si and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID142494690
Molecular FormulaC21H23F5N2O2Si
Molecular Weight458.50 g/mol
Exact Mass458.14
IUPAC Name2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cc(F)c(Oc2ccnc3c2c(C(F)(F)F)cn3COCC[Si](C)(C)C)c(F)c1
InChIInChI=1S/C21H23F5N2O2Si/c1-13-9-15(22)19(16(23)10-13)30-17-5-6-27-20-18(17)14(21(24,25)26)11-28(20)12-29-7-8-31(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyKNDMVRJTAIZWBU-UHFFFAOYSA-N
XLogP6.75
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 56.75
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-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 142494690) is 2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(F)c(Oc2ccnc3c2c(C(F)(F)F)cn3COCC[Si](C)(C)C)c(F)c1.
What is the InChIKey of 2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KNDMVRJTAIZWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F5N2O2Si/c1-13-9-15(22)19(16(23)10-13)30-17-5-6-27-20-18(17)14(21(24,25)26)11-28(20)12-29-7-8-31(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(2,6-difluoro-4-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 458.50 g/mol, XLogP of 6.75, 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-methylphenoxy)-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142494690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).