5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid

C18H22FNO4Si — CID 170906721

IUPAC5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)cc(-c2cccc(F)c2)c1=O
InChIInChI=1S/C18H22FNO4Si/c1-25(2,3)8-7-24-12-20-11-14(18(22)23)10-16(17(20)21)13-5-4-6-15(19)9-13/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,23)
InChIKeyLDBVWJAQCQNTOZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.66
Rot. Bonds7

About 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid

5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid (PubChem CID 170906721) has the molecular formula C18H22FNO4Si and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
PubChem CID170906721
Molecular FormulaC18H22FNO4Si
Molecular Weight363.46 g/mol
Exact Mass363.13
IUPAC Name5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)cc(-c2cccc(F)c2)c1=O
InChIInChI=1S/C18H22FNO4Si/c1-25(2,3)8-7-24-12-20-11-14(18(22)23)10-16(17(20)21)13-5-4-6-15(19)9-13/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,23)
InChIKeyLDBVWJAQCQNTOZ-UHFFFAOYSA-N
XLogP3.66
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
CID 170906723
3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
CID 166022038
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
5-(4-fluorophenyl)-6-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 67338937
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
CID 154665027
4-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 141048810
ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 156643880
5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 162469151
3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyridin-4-one
CID 140735529

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid (CID 170906721) is 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid is C[Si](C)(C)CCOCn1cc(C(=O)O)cc(-c2cccc(F)c2)c1=O.
What is the InChIKey of 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid?
The InChIKey is LDBVWJAQCQNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4Si/c1-25(2,3)8-7-24-12-20-11-14(18(22)23)10-16(17(20)21)13-5-4-6-15(19)9-13/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,23).
What are the key properties of 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid?
5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170906721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).