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

C19H22FN3O4Si — CID 21081635

IUPAC2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc21
InChIInChI=1S/C19H22FN3O4Si/c1-28(2,3)11-10-26-13-22-9-7-15-17(6-8-21-19(15)22)27-18-5-4-14(23(24)25)12-16(18)20/h4-9,12H,10-11,13H2,1-3H3
InChIKeyAPYCNBLZBBJPTF-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.19
Rot. Bonds8

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

2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 21081635) has the molecular formula C19H22FN3O4Si and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID21081635
Molecular FormulaC19H22FN3O4Si
Molecular Weight403.49 g/mol
Exact Mass403.14
IUPAC Name2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc21
InChIInChI=1S/C19H22FN3O4Si/c1-28(2,3)11-10-26-13-22-9-7-15-17(6-8-21-19(15)22)27-18-5-4-14(23(24)25)12-16(18)20/h4-9,12H,10-11,13H2,1-3H3
InChIKeyAPYCNBLZBBJPTF-UHFFFAOYSA-N
XLogP5.19
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 21081635) is 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc21.
What is the InChIKey of 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is APYCNBLZBBJPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4Si/c1-28(2,3)11-10-26-13-22-9-7-15-17(6-8-21-19(15)22)27-18-5-4-14(23(24)25)12-16(18)20/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 403.49 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 21081635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).