ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

C11H15NO5 — CID 164676176

IUPACethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOCc1cc(O)c(C(=O)OCC)c(=O)[nH]1
InChIInChI=1S/C11H15NO5/c1-3-16-6-7-5-8(13)9(10(14)12-7)11(15)17-4-2/h5H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyHZNNOWOHJZMSGE-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.79
Rot. Bonds5

About ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate

ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 164676176) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID164676176
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Nameethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOCc1cc(O)c(C(=O)OCC)c(=O)[nH]1
InChIInChI=1S/C11H15NO5/c1-3-16-6-7-5-8(13)9(10(14)12-7)11(15)17-4-2/h5H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyHZNNOWOHJZMSGE-UHFFFAOYSA-N
XLogP0.79
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 54738298
ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 54731423
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 6-(1-cyclohexylethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 141247359
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
ethyl 2-butan-2-yl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 123616005
ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate
CID 11389644
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
ethyl 6-(hydroxymethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 119084800
ethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
ethyl 3-bromo-5-hydroxybenzoate
CID 11708561

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (CID 164676176) is ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is CCOCc1cc(O)c(C(=O)OCC)c(=O)[nH]1.
What is the InChIKey of ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is HZNNOWOHJZMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-3-16-6-7-5-8(13)9(10(14)12-7)11(15)17-4-2/h5H,3-4,6H2,1-2H3,(H2,12,13,14).
What are the key properties of ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 164676176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).