[6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol

C17H24F4N2O2Si — CID 151739550

IUPAC[6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol
SMILESC[Si](C)(C)CCOCn1c(CO)cc2ncc(F)c(CCC(F)(F)F)c21
InChIInChI=1S/C17H24F4N2O2Si/c1-26(2,3)7-6-25-11-23-12(10-24)8-15-16(23)13(14(18)9-22-15)4-5-17(19,20)21/h8-9,24H,4-7,10-11H2,1-3H3
InChIKeyRMFXSHGRRCDQSA-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.47
Rot. Bonds8

About [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol

[6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol (PubChem CID 151739550) has the molecular formula C17H24F4N2O2Si and a molecular weight of 392.47 g/mol. Its IUPAC name is [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol
PubChem CID151739550
Molecular FormulaC17H24F4N2O2Si
Molecular Weight392.47 g/mol
Exact Mass392.15
IUPAC Name[6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol
SMILESC[Si](C)(C)CCOCn1c(CO)cc2ncc(F)c(CCC(F)(F)F)c21
InChIInChI=1S/C17H24F4N2O2Si/c1-26(2,3)7-6-25-11-23-12(10-24)8-15-16(23)13(14(18)9-22-15)4-5-17(19,20)21/h8-9,24H,4-7,10-11H2,1-3H3
InChIKeyRMFXSHGRRCDQSA-UHFFFAOYSA-N
XLogP4.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
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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Related Compounds

[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol
CID 174096302
5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
CID 163233761
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
2-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
CID 86705759
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol?
The IUPAC name of [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol (CID 151739550) is [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol.
What is the SMILES notation for [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol?
The canonical SMILES for [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol is C[Si](C)(C)CCOCn1c(CO)cc2ncc(F)c(CCC(F)(F)F)c21.
What is the InChIKey of [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol?
The InChIKey is RMFXSHGRRCDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F4N2O2Si/c1-26(2,3)7-6-25-11-23-12(10-24)8-15-16(23)13(14(18)9-22-15)4-5-17(19,20)21/h8-9,24H,4-7,10-11H2,1-3H3.
What are the key properties of [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol?
[6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol has a molecular weight of 392.47 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-7-(3,3,3-trifluoropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]methanol is sourced from PubChem (CID 151739550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).