methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate

C21H24F2N2O4Si — CID 67226978

IUPACmethyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cc(F)cc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C21H24F2N2O4Si/c1-27-21(26)16-6-5-14(22)10-19(16)29-20-11-15(23)9-18-17(20)12-24-25(18)13-28-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyADTRHJKBHISOCW-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.21
Rot. Bonds8

About methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate

methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate (PubChem CID 67226978) has the molecular formula C21H24F2N2O4Si and a molecular weight of 434.52 g/mol. Its IUPAC name is methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate
PubChem CID67226978
Molecular FormulaC21H24F2N2O4Si
Molecular Weight434.52 g/mol
Exact Mass434.15
IUPAC Namemethyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cc(F)cc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C21H24F2N2O4Si/c1-27-21(26)16-6-5-14(22)10-19(16)29-20-11-15(23)9-18-17(20)12-24-25(18)13-28-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyADTRHJKBHISOCW-UHFFFAOYSA-N
XLogP5.21
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate?
The IUPAC name of methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate (CID 67226978) is methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate.
What is the SMILES notation for methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate?
The canonical SMILES for methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate is COC(=O)c1ccc(F)cc1Oc1cc(F)cc2c1cnn2COCC[Si](C)(C)C.
What is the InChIKey of methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate?
The InChIKey is ADTRHJKBHISOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O4Si/c1-27-21(26)16-6-5-14(22)10-19(16)29-20-11-15(23)9-18-17(20)12-24-25(18)13-28-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3.
What are the key properties of methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate?
methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate has a molecular weight of 434.52 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[6-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]oxybenzoate is sourced from PubChem (CID 67226978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).