[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane

C20H25BrN2OSi — CID 140798373

IUPAC[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C20H25BrN2OSi/c1-20(2,3)25(4,5)24-14-15-7-6-8-18(11-15)23-19-12-17(21)10-9-16(19)13-22-23/h6-13H,14H2,1-5H3
InChIKeyCENSNRGYFICPEF-UHFFFAOYSA-N
MW417.42 g/mol
LogP6.31
Rot. Bonds4

About [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane

[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 140798373) has the molecular formula C20H25BrN2OSi and a molecular weight of 417.42 g/mol. Its IUPAC name is [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane
PubChem CID140798373
Molecular FormulaC20H25BrN2OSi
Molecular Weight417.42 g/mol
Exact Mass416.09
IUPAC Name[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C20H25BrN2OSi/c1-20(2,3)25(4,5)24-14-15-7-6-8-18(11-15)23-19-12-17(21)10-9-16(19)13-22-23/h6-13H,14H2,1-5H3
InChIKeyCENSNRGYFICPEF-UHFFFAOYSA-N
XLogP6.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane (CID 140798373) is [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)c1.
What is the InChIKey of [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is CENSNRGYFICPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2OSi/c1-20(2,3)25(4,5)24-14-15-7-6-8-18(11-15)23-19-12-17(21)10-9-16(19)13-22-23/h6-13H,14H2,1-5H3.
What are the key properties of [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane?
[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 417.42 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140798373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).