2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane

C14H21BrN2OSi — CID 58181208

IUPAC2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1cc(Br)cc2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C14H21BrN2OSi/c1-11-7-13(15)8-12-9-16-17(14(11)12)10-18-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyQPKMLEWZAVUIDT-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.42
Rot. Bonds5

About 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 58181208) has the molecular formula C14H21BrN2OSi and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID58181208
Molecular FormulaC14H21BrN2OSi
Molecular Weight341.33 g/mol
Exact Mass340.06
IUPAC Name2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1cc(Br)cc2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C14H21BrN2OSi/c1-11-7-13(15)8-12-9-16-17(14(11)12)10-18-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyQPKMLEWZAVUIDT-UHFFFAOYSA-N
XLogP4.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
5-fluoro-7-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-ol
CID 163233761
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713
2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 142420452
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
(1R)-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-yl]ethanamine
CID 178027402
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
N-methyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridin-7-yl]methanamine
CID 169013201

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 58181208) is 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane is Cc1cc(Br)cc2cnn(COCC[Si](C)(C)C)c12.
What is the InChIKey of 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is QPKMLEWZAVUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OSi/c1-11-7-13(15)8-12-9-16-17(14(11)12)10-18-5-6-19(2,3)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 341.33 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58181208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).