5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol

C14H21FN2O3Si — CID 163233761

IUPAC5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
SMILESC[Si](C)(C)CCOCn1ncc2cc(F)c(O)c(CO)c21
InChIInChI=1S/C14H21FN2O3Si/c1-21(2,3)5-4-20-9-17-13-10(7-16-17)6-12(15)14(19)11(13)8-18/h6-7,18-19H,4-5,8-9H2,1-3H3
InChIKeyYSKCTKPCPNTQAF-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.69
Rot. Bonds6

About 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol

5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol (PubChem CID 163233761) has the molecular formula C14H21FN2O3Si and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol.

Molecular Properties

Compound Name5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
PubChem CID163233761
Molecular FormulaC14H21FN2O3Si
Molecular Weight312.42 g/mol
Exact Mass312.13
IUPAC Name5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
SMILESC[Si](C)(C)CCOCn1ncc2cc(F)c(O)c(CO)c21
InChIInChI=1S/C14H21FN2O3Si/c1-21(2,3)5-4-20-9-17-13-10(7-16-17)6-12(15)14(19)11(13)8-18/h6-7,18-19H,4-5,8-9H2,1-3H3
InChIKeyYSKCTKPCPNTQAF-UHFFFAOYSA-N
XLogP2.69
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.69
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-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
6-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazol-7-amine
CID 175233264
(1R)-1-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]ethane-1,2-diol
CID 165175424
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 142420452
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
CID 163209326
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol?
The IUPAC name of 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol (CID 163233761) is 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol.
What is the SMILES notation for 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol?
The canonical SMILES for 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol is C[Si](C)(C)CCOCn1ncc2cc(F)c(O)c(CO)c21.
What is the InChIKey of 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol?
The InChIKey is YSKCTKPCPNTQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3Si/c1-21(2,3)5-4-20-9-17-13-10(7-16-17)6-12(15)14(19)11(13)8-18/h6-7,18-19H,4-5,8-9H2,1-3H3.
What are the key properties of 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol?
5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol has a molecular weight of 312.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol is sourced from PubChem (CID 163233761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).