4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane

C38H43Br2ClF4N4O4Si2 — CID 158266288

IUPAC4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ncc2c(Br)cc(Oc3ccc(F)cc3F)cc21.Fc1ccc(Oc2cc(Br)c3cn[nH]c3c2)c(F)c1
InChIInChI=1S/C19H21BrF2N2O2Si.C13H7BrF2N2O.C6H15ClOSi/c1-27(2,3)7-6-25-12-24-18-10-14(9-16(20)15(18)11-23-24)26-19-5-4-13(21)8-17(19)22;14-10-4-8(5-12-9(10)6-17-18-12)19-13-2-1-7(15)3-11(13)16;1-9(2,3)5-4-8-6-7/h4-5,8-11H,6-7,12H2,1-3H3;1-6H,(H,17,18);4-6H2,1-3H3
InChIKeyGIMBFOKJRXYWCA-UHFFFAOYSA-N
MW947.21 g/mol
LogP13.11
Rot. Bonds13

About 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane

4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane (PubChem CID 158266288) has the molecular formula C38H43Br2ClF4N4O4Si2 and a molecular weight of 947.21 g/mol. Its IUPAC name is 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane.

Molecular Properties

Compound Name4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
PubChem CID158266288
Molecular FormulaC38H43Br2ClF4N4O4Si2
Molecular Weight947.21 g/mol
Exact Mass944.08
IUPAC Name4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ncc2c(Br)cc(Oc3ccc(F)cc3F)cc21.Fc1ccc(Oc2cc(Br)c3cn[nH]c3c2)c(F)c1
InChIInChI=1S/C19H21BrF2N2O2Si.C13H7BrF2N2O.C6H15ClOSi/c1-27(2,3)7-6-25-12-24-18-10-14(9-16(20)15(18)11-23-24)26-19-5-4-13(21)8-17(19)22;14-10-4-8(5-12-9(10)6-17-18-12)19-13-2-1-7(15)3-11(13)16;1-9(2,3)5-4-8-6-7/h4-5,8-11H,6-7,12H2,1-3H3;1-6H,(H,17,18);4-6H2,1-3H3
InChIKeyGIMBFOKJRXYWCA-UHFFFAOYSA-N
XLogP13.11
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.21
LogP ≤ 513.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane?
The IUPAC name of 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane (CID 158266288) is 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane.
What is the SMILES notation for 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane?
The canonical SMILES for 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane is C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1ncc2c(Br)cc(Oc3ccc(F)cc3F)cc21.Fc1ccc(Oc2cc(Br)c3cn[nH]c3c2)c(F)c1.
What is the InChIKey of 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane?
The InChIKey is GIMBFOKJRXYWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrF2N2O2Si.C13H7BrF2N2O.C6H15ClOSi/c1-27(2,3)7-6-25-12-24-18-10-14(9-16(20)15(18)11-23-24)26-19-5-4-13(21)8-17(19)22;14-10-4-8(5-12-9(10)6-17-18-12)19-13-2-1-7(15)3-11(13)16;1-9(2,3)5-4-8-6-7/h4-5,8-11H,6-7,12H2,1-3H3;1-6H,(H,17,18);4-6H2,1-3H3.
What are the key properties of 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane?
4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane has a molecular weight of 947.21 g/mol, XLogP of 13.11, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane is sourced from PubChem (CID 158266288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).