5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid

C14H19BrN2O3Si — CID 153498713

IUPAC5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)c(C(=O)O)cc21
InChIInChI=1S/C14H19BrN2O3Si/c1-21(2,3)5-4-20-9-17-13-7-11(14(18)19)12(15)6-10(13)8-16-17/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyRWCNTQGYCUKUIH-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.81
Rot. Bonds6

About 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid

5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid (PubChem CID 153498713) has the molecular formula C14H19BrN2O3Si and a molecular weight of 371.31 g/mol. Its IUPAC name is 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
PubChem CID153498713
Molecular FormulaC14H19BrN2O3Si
Molecular Weight371.31 g/mol
Exact Mass370.03
IUPAC Name5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
SMILESC[Si](C)(C)CCOCn1ncc2cc(Br)c(C(=O)O)cc21
InChIInChI=1S/C14H19BrN2O3Si/c1-21(2,3)5-4-20-9-17-13-7-11(14(18)19)12(15)6-10(13)8-16-17/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyRWCNTQGYCUKUIH-UHFFFAOYSA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.81
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

1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
8-bromo-6-fluoro-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]benzimidazole-3-carboxylic acid
CID 140769932
3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
CID 166022038
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
5-bromo-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylic acid
CID 175958107
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 175411228

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid?
The IUPAC name of 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid (CID 153498713) is 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid.
What is the SMILES notation for 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid?
The canonical SMILES for 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid is C[Si](C)(C)CCOCn1ncc2cc(Br)c(C(=O)O)cc21.
What is the InChIKey of 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid?
The InChIKey is RWCNTQGYCUKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3Si/c1-21(2,3)5-4-20-9-17-13-7-11(14(18)19)12(15)6-10(13)8-16-17/h6-8H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid?
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid has a molecular weight of 371.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid is sourced from PubChem (CID 153498713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).