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

C10H13NO4 — CID 54738298

IUPACethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(CC)[nH]c1=O
InChIInChI=1S/C10H13NO4/c1-3-6-5-7(12)8(9(13)11-6)10(14)15-4-2/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyPGNSACFZBNJZGY-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.82
Rot. Bonds3

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

ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 54738298) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID54738298
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)cc(CC)[nH]c1=O
InChIInChI=1S/C10H13NO4/c1-3-6-5-7(12)8(9(13)11-6)10(14)15-4-2/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyPGNSACFZBNJZGY-UHFFFAOYSA-N
XLogP0.82
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 164676176
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 54731423
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 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
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 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 135431328
ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 54684680

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate (CID 54738298) is ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)cc(CC)[nH]c1=O.
What is the InChIKey of ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is PGNSACFZBNJZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-6-5-7(12)8(9(13)11-6)10(14)15-4-2/h5H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate?
ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54738298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).