2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid

C14H20N2O3Si — CID 175824202

IUPAC2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc2cccc(C(=O)O)c2n1
InChIInChI=1S/C14H20N2O3Si/c1-20(2,3)8-7-19-10-16-9-11-5-4-6-12(14(17)18)13(11)15-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)
InChIKeyGUHVGTVLEJSYTE-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid

2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid (PubChem CID 175824202) has the molecular formula C14H20N2O3Si and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
PubChem CID175824202
Molecular FormulaC14H20N2O3Si
Molecular Weight292.41 g/mol
Exact Mass292.12
IUPAC Name2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc2cccc(C(=O)O)c2n1
InChIInChI=1S/C14H20N2O3Si/c1-20(2,3)8-7-19-10-16-9-11-5-4-6-12(14(17)18)13(11)15-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18)
InChIKeyGUHVGTVLEJSYTE-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.05
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

2-[(4-chlorophenyl)methyl]indazole-7-carboxylic acid
CID 58125299
3-(3-but-3-enoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylic acid
CID 155649117
methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 166173802
2-[(6-methyl-2-pyridinyl)oxy]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 67125213
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 171770081
4-[[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid
CID 67403173
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
[(E)-3-methoxy-1-[7-methyl-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3-oxoprop-1-en-2-yl]carbamic acid
CID 69072732
2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 147098529

Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid?
The IUPAC name of 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid (CID 175824202) is 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid.
What is the SMILES notation for 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid?
The canonical SMILES for 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid is C[Si](C)(C)CCOCn1cc2cccc(C(=O)O)c2n1.
What is the InChIKey of 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid?
The InChIKey is GUHVGTVLEJSYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3Si/c1-20(2,3)8-7-19-10-16-9-11-5-4-6-12(14(17)18)13(11)15-16/h4-6,9H,7-8,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid?
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid has a molecular weight of 292.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid is sourced from PubChem (CID 175824202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).