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

C19H23FN2OSi — CID 146169455

IUPAC2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)c2c(F)ccnc21
InChIInChI=1S/C19H23FN2OSi/c1-24(2,3)12-11-23-14-22-13-16(15-7-5-4-6-8-15)18-17(20)9-10-21-19(18)22/h4-10,13H,11-12,14H2,1-3H3
InChIKeyAGCDKJRBNCYKDN-UHFFFAOYSA-N
MW342.49 g/mol
LogP5.15
Rot. Bonds6

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

2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 146169455) has the molecular formula C19H23FN2OSi and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID146169455
Molecular FormulaC19H23FN2OSi
Molecular Weight342.49 g/mol
Exact Mass342.16
IUPAC Name2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2)c2c(F)ccnc21
InChIInChI=1S/C19H23FN2OSi/c1-24(2,3)12-11-23-14-22-13-16(15-7-5-4-6-8-15)18-17(20)9-10-21-19(18)22/h4-10,13H,11-12,14H2,1-3H3
InChIKeyAGCDKJRBNCYKDN-UHFFFAOYSA-N
XLogP5.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.15
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-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 146169455) is 2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccccc2)c2c(F)ccnc21.
What is the InChIKey of 2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is AGCDKJRBNCYKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OSi/c1-24(2,3)12-11-23-14-22-13-16(15-7-5-4-6-8-15)18-17(20)9-10-21-19(18)22/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of 2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 342.49 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 146169455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).