3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one

C17H22FNO2Si — CID 140735529

IUPAC3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one
SMILESC[Si](C)(C)CCOCn1ccc(=O)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H22FNO2Si/c1-22(2,3)11-10-21-13-19-9-8-17(20)16(12-19)14-4-6-15(18)7-5-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyCTGLGKWAPZEMGB-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.97
Rot. Bonds6

About 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one

3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one (PubChem CID 140735529) has the molecular formula C17H22FNO2Si and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one
PubChem CID140735529
Molecular FormulaC17H22FNO2Si
Molecular Weight319.45 g/mol
Exact Mass319.14
IUPAC Name3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one
SMILESC[Si](C)(C)CCOCn1ccc(=O)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H22FNO2Si/c1-22(2,3)11-10-21-13-19-9-8-17(20)16(12-19)14-4-6-15(18)7-5-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyCTGLGKWAPZEMGB-UHFFFAOYSA-N
XLogP3.97
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274
trimethyl-[2-[[3-(1H-pyrazol-4-yl)pyrrol-1-yl]methoxy]ethyl]silane
CID 141189277
2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
CID 175454411
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 90258343
5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
CID 170906721
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione
CID 14515753
2-(imidazol-1-ylmethoxy)ethyl-trimethylsilane
CID 11052605
1-(2-trimethylsilylethoxymethyl)imidazol-4-amine
CID 58367438
2-[[4-[(3-fluoro-5-phenylmethoxyphenoxy)methyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90075794

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one (CID 140735529) is 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one is C[Si](C)(C)CCOCn1ccc(=O)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one?
The InChIKey is CTGLGKWAPZEMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2Si/c1-22(2,3)11-10-21-13-19-9-8-17(20)16(12-19)14-4-6-15(18)7-5-14/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one?
3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one has a molecular weight of 319.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one is sourced from PubChem (CID 140735529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).