1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C14H20Br2N2OSi — CID 19047463

IUPAC1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(OCn1ncc2cc(Br)c(CBr)cc21)[Si](C)(C)C
InChIInChI=1S/C14H20Br2N2OSi/c1-10(20(2,3)4)19-9-18-14-6-11(7-15)13(16)5-12(14)8-17-18/h5-6,8,10H,7,9H2,1-4H3
InChIKeyWIYMDWWJIHMTLY-UHFFFAOYSA-N
MW420.22 g/mol
LogP4.93
Rot. Bonds5

About 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 19047463) has the molecular formula C14H20Br2N2OSi and a molecular weight of 420.22 g/mol. Its IUPAC name is 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID19047463
Molecular FormulaC14H20Br2N2OSi
Molecular Weight420.22 g/mol
Exact Mass417.97
IUPAC Name1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(OCn1ncc2cc(Br)c(CBr)cc21)[Si](C)(C)C
InChIInChI=1S/C14H20Br2N2OSi/c1-10(20(2,3)4)19-9-18-14-6-11(7-15)13(16)5-12(14)8-17-18/h5-6,8,10H,7,9H2,1-4H3
InChIKeyWIYMDWWJIHMTLY-UHFFFAOYSA-N
XLogP4.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.22
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(oxan-2-yl)-1H-indazole
CID 53433826
5-Bromo-2-methyl-2H-indazole
CID 11514007
5-Bromo-1-methyl-1H-indazole
CID 22558725
5-Bromo-2-ethyl-2H-indazole
CID 22558977
5-Bromo-1,4-dimethyl-1H-indazole
CID 44119457
5-Bromo-1,6-dimethyl-1H-indazole
CID 44119458
5-Bromo-2,4-dimethyl-2H-indazole
CID 44119467
5-Bromo-1-isopropylindazole
CID 53216940
2-[(3-Bromoindazol-2-yl)methoxy]ethyl-trimethylsilane
CID 11674270
2-((2-(trimethylsilyl)ethoxy)methyl)-2H-indazole
CID 11680369
1-(2-trimethylsilanyl-ethoxymethyl)-1H-indazole
CID 11687440
5-bromo-2-(tetrahydro-2H-pyran-2-yl)-2H-indazole
CID 44240529

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 19047463) is 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is CC(OCn1ncc2cc(Br)c(CBr)cc21)[Si](C)(C)C.
What is the InChIKey of 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WIYMDWWJIHMTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2OSi/c1-10(20(2,3)4)19-9-18-14-6-11(7-15)13(16)5-12(14)8-17-18/h5-6,8,10H,7,9H2,1-4H3.
What are the key properties of 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 420.22 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-6-(bromomethyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 19047463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).