ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate

C10H13NO4 — CID 54694602

IUPACethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c(C)c(C)[nH]c1=O
InChIInChI=1S/C10H13NO4/c1-4-15-10(14)7-8(12)5(2)6(3)11-9(7)13/h4H2,1-3H3,(H2,11,12,13)
InChIKeyFXYKRZNQIKTPSN-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.87
Rot. Bonds2

About ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate

ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 54694602) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID54694602
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c(C)c(C)[nH]c1=O
InChIInChI=1S/C10H13NO4/c1-4-15-10(14)7-8(12)5(2)6(3)11-9(7)13/h4H2,1-3H3,(H2,11,12,13)
InChIKeyFXYKRZNQIKTPSN-UHFFFAOYSA-N
XLogP0.87
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 58024646
diethyl 6-methyl-5-nitro-2-oxo-1H-pyridine-3,4-dicarboxylate
CID 19935590
ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate
CID 11389644
ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 54734835
ethyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
CID 54686579
ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 135431328
ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 54738298
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 164676176
ethyl 4-iodo-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 11529435
ethyl 2-(2-ethoxy-2-oxoethyl)-4-hydroxy-5-methyl-1H-pyrrole-3-carboxylate
CID 70534092

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate (CID 54694602) is ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)c(C)c(C)[nH]c1=O.
What is the InChIKey of ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FXYKRZNQIKTPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-15-10(14)7-8(12)5(2)6(3)11-9(7)13/h4H2,1-3H3,(H2,11,12,13).
What are the key properties of ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54694602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).