2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C19H22BrFN2OSi — CID 170762564

IUPAC2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Br)c(-c2ccccc2)c2ncc(F)cc21
InChIInChI=1S/C19H22BrFN2OSi/c1-25(2,3)10-9-24-13-23-16-11-15(21)12-22-18(16)17(19(23)20)14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyRLWUDEOURNRZGL-UHFFFAOYSA-N
MW421.39 g/mol
LogP5.92
Rot. Bonds6

About 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 170762564) has the molecular formula C19H22BrFN2OSi and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID170762564
Molecular FormulaC19H22BrFN2OSi
Molecular Weight421.39 g/mol
Exact Mass420.07
IUPAC Name2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(Br)c(-c2ccccc2)c2ncc(F)cc21
InChIInChI=1S/C19H22BrFN2OSi/c1-25(2,3)10-9-24-13-23-16-11-15(21)12-22-18(16)17(19(23)20)14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyRLWUDEOURNRZGL-UHFFFAOYSA-N
XLogP5.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.39
LogP ≤ 55.92
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-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 170762564) is 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(Br)c(-c2ccccc2)c2ncc(F)cc21.
What is the InChIKey of 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is RLWUDEOURNRZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2OSi/c1-25(2,3)10-9-24-13-23-16-11-15(21)12-22-18(16)17(19(23)20)14-7-5-4-6-8-14/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 421.39 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-fluoro-3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 170762564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).