methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate

C15H21BrN2O3Si — CID 166173802

IUPACmethyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
SMILESCOC(=O)c1ccc(Br)c2cn(COCC[Si](C)(C)C)nc12
InChIInChI=1S/C15H21BrN2O3Si/c1-20-15(19)11-5-6-13(16)12-9-18(17-14(11)12)10-21-7-8-22(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyULIJHCFBHTUQJZ-UHFFFAOYSA-N
MW385.33 g/mol
LogP3.90
Rot. Bonds6

About methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate

methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate (PubChem CID 166173802) has the molecular formula C15H21BrN2O3Si and a molecular weight of 385.33 g/mol. Its IUPAC name is methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
PubChem CID166173802
Molecular FormulaC15H21BrN2O3Si
Molecular Weight385.33 g/mol
Exact Mass384.05
IUPAC Namemethyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
SMILESCOC(=O)c1ccc(Br)c2cn(COCC[Si](C)(C)C)nc12
InChIInChI=1S/C15H21BrN2O3Si/c1-20-15(19)11-5-6-13(16)12-9-18(17-14(11)12)10-21-7-8-22(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyULIJHCFBHTUQJZ-UHFFFAOYSA-N
XLogP3.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
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

methyl 4-bromo-2-propan-2-ylindazole-7-carboxylate
CID 167501578
methyl 4-nitroso-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 175614777
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
CID 131747440
3-[(3,4-dibromothiophen-2-yl)methyl]-N-methoxy-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
CID 172588307
methyl 6-[[3-bromo-4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]amino]pyridine-3-carboxylate
CID 168945823
methyl 3-(4-bromophenyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 71267034
5-bromo-4-methoxy-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 90181086
methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517
methyl 2-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridine-7-carboxylate
CID 140752402
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
ethyl 3-prop-1-ynyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 163216453

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate?
The IUPAC name of methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate (CID 166173802) is methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate.
What is the SMILES notation for methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate?
The canonical SMILES for methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate is COC(=O)c1ccc(Br)c2cn(COCC[Si](C)(C)C)nc12.
What is the InChIKey of methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate?
The InChIKey is ULIJHCFBHTUQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3Si/c1-20-15(19)11-5-6-13(16)12-9-18(17-14(11)12)10-21-7-8-22(2,3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate?
methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate has a molecular weight of 385.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate is sourced from PubChem (CID 166173802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).