2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane

C30H43Br2Cl3N4O2Si2 — CID 158930609

IUPAC2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc2c(Cl)c(Br)ccc2n1.CC(C)(C)[Si](C)(C)OCCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C15H21BrCl2N2OSi.C15H22BrClN2OSi/c1-15(2,3)22(4,5)21-9-8-20-14(18)12-11(19-20)7-6-10(16)13(12)17;1-15(2,3)21(4,5)20-9-8-19-10-11-13(18-19)7-6-12(16)14(11)17/h6-7H,8-9H2,1-5H3;6-7,10H,8-9H2,1-5H3
InChIKeyJIZRYWNOMADOQL-UHFFFAOYSA-N
MW814.04 g/mol
LogP11.60
Rot. Bonds8

About 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane

2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 158930609) has the molecular formula C30H43Br2Cl3N4O2Si2 and a molecular weight of 814.04 g/mol. Its IUPAC name is 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID158930609
Molecular FormulaC30H43Br2Cl3N4O2Si2
Molecular Weight814.04 g/mol
Exact Mass810.04
IUPAC Name2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc2c(Cl)c(Br)ccc2n1.CC(C)(C)[Si](C)(C)OCCn1nc2ccc(Br)c(Cl)c2c1Cl
InChIInChI=1S/C15H21BrCl2N2OSi.C15H22BrClN2OSi/c1-15(2,3)22(4,5)21-9-8-20-14(18)12-11(19-20)7-6-10(16)13(12)17;1-15(2,3)21(4,5)20-9-8-19-10-11-13(18-19)7-6-12(16)14(11)17/h6-7H,8-9H2,1-5H3;6-7,10H,8-9H2,1-5H3
InChIKeyJIZRYWNOMADOQL-UHFFFAOYSA-N
XLogP11.60
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(5-Bromo-4-chloro-2H-indazol-2-yl)-2-methylpropan-2-ol
CID 146307891
5-Bromo-4-chloro-2-(2-methoxyethyl)-2H-indazole
CID 146308008
5-Bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
CID 150972694
5-Bromo-4-chloro-2-(oxetan-3-yl)indazole
CID 151735117
2-(5-Bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
CID 155673197
2-(5-Bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane
CID 155673222
5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole
CID 157343017
(5-Bromo-4-chloro-2-methylindazol-3-yl)methanol;(5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane
CID 157812519
5-Bromo-4-chloro-2-ethylindazole;4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158229275
5-Bromo-4-chloro-2-ethylindazole;(4-chloro-2-ethylindazol-5-yl)boronic acid
CID 159669446
5-Bromo-4-chloro-2-methylindazole;4-chloro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 159882701
5-Bromo-3-chloro-2-ethyl-4-fluoroindazole;5-bromo-2-ethyl-4-fluoroindazole
CID 160336275

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane (CID 158930609) is 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1cc2c(Cl)c(Br)ccc2n1.CC(C)(C)[Si](C)(C)OCCn1nc2ccc(Br)c(Cl)c2c1Cl.
What is the InChIKey of 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is JIZRYWNOMADOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrCl2N2OSi.C15H22BrClN2OSi/c1-15(2,3)22(4,5)21-9-8-20-14(18)12-11(19-20)7-6-10(16)13(12)17;1-15(2,3)21(4,5)20-9-8-19-10-11-13(18-19)7-6-12(16)14(11)17/h6-7H,8-9H2,1-5H3;6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane?
2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 814.04 g/mol, XLogP of 11.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane;2-(5-bromo-3,4-dichloroindazol-2-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 158930609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).