methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate

C21H26F3NO4Si — CID 66652485

IUPACmethyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(OCCO[Si](C)(C)C(C)(C)C)cc2F)n1
InChIInChI=1S/C21H26F3NO4Si/c1-21(2,3)30(5,6)29-10-9-28-13-11-15(23)18(16(24)12-13)19-14(22)7-8-17(25-19)20(26)27-4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyFMKGTIODTSHWKU-UHFFFAOYSA-N
MW441.52 g/mol
LogP5.35
Rot. Bonds7

About methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate

methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 66652485) has the molecular formula C21H26F3NO4Si and a molecular weight of 441.52 g/mol. Its IUPAC name is methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
PubChem CID66652485
Molecular FormulaC21H26F3NO4Si
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Namemethyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(OCCO[Si](C)(C)C(C)(C)C)cc2F)n1
InChIInChI=1S/C21H26F3NO4Si/c1-21(2,3)30(5,6)29-10-9-28-13-11-15(23)18(16(24)12-13)19-14(22)7-8-17(25-19)20(26)27-4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyFMKGTIODTSHWKU-UHFFFAOYSA-N
XLogP5.35
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate (CID 66652485) is methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2c(F)cc(OCCO[Si](C)(C)C(C)(C)C)cc2F)n1.
What is the InChIKey of methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is FMKGTIODTSHWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3NO4Si/c1-21(2,3)30(5,6)29-10-9-28-13-11-15(23)18(16(24)12-13)19-14(22)7-8-17(25-19)20(26)27-4/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate?
methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 441.52 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 66652485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).