2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane

C13H18BrClN2OSi — CID 177341411

IUPAC2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2c(Cl)cc(Br)cc21
InChIInChI=1S/C13H18BrClN2OSi/c1-19(2,3)5-4-18-9-17-13-7-10(14)6-12(15)11(13)8-16-17/h6-8H,4-5,9H2,1-3H3
InChIKeyLBQILBFFEDZRCZ-UHFFFAOYSA-N
MW361.74 g/mol
LogP4.76
Rot. Bonds5

About 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 177341411) has the molecular formula C13H18BrClN2OSi and a molecular weight of 361.74 g/mol. Its IUPAC name is 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID177341411
Molecular FormulaC13H18BrClN2OSi
Molecular Weight361.74 g/mol
Exact Mass360.01
IUPAC Name2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc2c(Cl)cc(Br)cc21
InChIInChI=1S/C13H18BrClN2OSi/c1-19(2,3)5-4-18-9-17-13-7-10(14)6-12(15)11(13)8-16-17/h6-8H,4-5,9H2,1-3H3
InChIKeyLBQILBFFEDZRCZ-UHFFFAOYSA-N
XLogP4.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.74
LogP ≤ 54.76
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

4-[4-bromo-6-chloro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]but-3-yn-1-ol
CID 177326996
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
CID 163209326
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile
CID 171832869
2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163233343
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 177341411) is 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc2c(Cl)cc(Br)cc21.
What is the InChIKey of 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is LBQILBFFEDZRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2OSi/c1-19(2,3)5-4-18-9-17-13-7-10(14)6-12(15)11(13)8-16-17/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 361.74 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 177341411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).