4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol

C20H25FN2O3Si — CID 137199432

IUPAC4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol
SMILESC[Si](C)(C)CCOCn1cc(CO)c2c(-c3cc(F)ccc3O)ccnc21
InChIInChI=1S/C20H25FN2O3Si/c1-27(2,3)9-8-26-13-23-11-14(12-24)19-16(6-7-22-20(19)23)17-10-15(21)4-5-18(17)25/h4-7,10-11,24-25H,8-9,12-13H2,1-3H3
InChIKeyQXXSVECHZSGCML-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.35
Rot. Bonds7

About 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol

4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol (PubChem CID 137199432) has the molecular formula C20H25FN2O3Si and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol
PubChem CID137199432
Molecular FormulaC20H25FN2O3Si
Molecular Weight388.52 g/mol
Exact Mass388.16
IUPAC Name4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol
SMILESC[Si](C)(C)CCOCn1cc(CO)c2c(-c3cc(F)ccc3O)ccnc21
InChIInChI=1S/C20H25FN2O3Si/c1-27(2,3)9-8-26-13-23-11-14(12-24)19-16(6-7-22-20(19)23)17-10-15(21)4-5-18(17)25/h4-7,10-11,24-25H,8-9,12-13H2,1-3H3
InChIKeyQXXSVECHZSGCML-UHFFFAOYSA-N
XLogP4.35
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-3-ethylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 67502225
trimethyl-[2-[(4-methylsulfanyl-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169588
4-(3-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 159682716
methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate
CID 140891564
2-[[3-bromo-4-(3-fluoro-4-methylphenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174084948
trimethyl-[2-[(3-phenyl-4-pyrrol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169697
4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-2,5-difluoroaniline
CID 168833190
4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluoroaniline
CID 142494847
2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 171106231
[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol
CID 150791440
3-[4-(4-amino-2,6-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propanenitrile
CID 142518647
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol?
The IUPAC name of 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol (CID 137199432) is 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol?
The canonical SMILES for 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol is C[Si](C)(C)CCOCn1cc(CO)c2c(-c3cc(F)ccc3O)ccnc21.
What is the InChIKey of 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol?
The InChIKey is QXXSVECHZSGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3Si/c1-27(2,3)9-8-26-13-23-11-14(12-24)19-16(6-7-22-20(19)23)17-10-15(21)4-5-18(17)25/h4-7,10-11,24-25H,8-9,12-13H2,1-3H3.
What are the key properties of 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol?
4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol has a molecular weight of 388.52 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol is sourced from PubChem (CID 137199432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).