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

C19H25NO5Si — CID 170906723

IUPAC5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)c1
InChIInChI=1S/C19H25NO5Si/c1-24-16-7-5-6-14(10-16)17-11-15(19(22)23)12-20(18(17)21)13-25-8-9-26(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3,(H,22,23)
InChIKeyGYKSHFFKEGIKDZ-UHFFFAOYSA-N
MW375.50 g/mol
LogP3.53
Rot. Bonds8

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

5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid (PubChem CID 170906723) has the molecular formula C19H25NO5Si and a molecular weight of 375.50 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
PubChem CID170906723
Molecular FormulaC19H25NO5Si
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)c1
InChIInChI=1S/C19H25NO5Si/c1-24-16-7-5-6-14(10-16)17-11-15(19(22)23)12-20(18(17)21)13-25-8-9-26(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3,(H,22,23)
InChIKeyGYKSHFFKEGIKDZ-UHFFFAOYSA-N
XLogP3.53
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
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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Related Compounds

5-(3-fluorophenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
CID 170906721
3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
CID 166022038
5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 162469151
3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
CID 176508636
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
1-tert-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 39095997
7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid
CID 171799512
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952
N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide
CID 156716919
ethyl 4-methoxy-5-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate
CID 53350015
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid (CID 170906723) is 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid is COc1cccc(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid?
The InChIKey is GYKSHFFKEGIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5Si/c1-24-16-7-5-6-14(10-16)17-11-15(19(22)23)12-20(18(17)21)13-25-8-9-26(2,3)4/h5-7,10-12H,8-9,13H2,1-4H3,(H,22,23).
What are the key properties of 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid?
5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid has a molecular weight of 375.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170906723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).