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

C11H15NO4 — CID 135431328

IUPACethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)[nH]c(=O)c(CC)c1C
InChIInChI=1S/C11H15NO4/c1-4-7-6(3)8(11(15)16-5-2)10(14)12-9(7)13/h4-5H2,1-3H3,(H2,12,13,14)
InChIKeyFLHWJKMEVNETFK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.13
Rot. Bonds3

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

ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 135431328) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID135431328
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)[nH]c(=O)c(CC)c1C
InChIInChI=1S/C11H15NO4/c1-4-7-6(3)8(11(15)16-5-2)10(14)12-9(7)13/h4-5H2,1-3H3,(H2,12,13,14)
InChIKeyFLHWJKMEVNETFK-UHFFFAOYSA-N
XLogP1.13
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.13
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
diethyl 2,5-diethyl-3,6-dihydroxybenzene-1,4-dicarboxylate
CID 176550892
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
methyl 2-chloro-5-ethyl-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69285399
ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 54738298
ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate
CID 11389644
ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
CID 15720288
ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
CID 24786852
ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 135741598
ethyl 5-acetyl-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate
CID 121001631
ethyl 4-chloro-6-(4-chlorophenyl)-5-ethyl-2-oxo-1H-pyridine-3-carboxylate
CID 118278384
methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 58024646

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 135431328) is ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(O)[nH]c(=O)c(CC)c1C.
What is the InChIKey of ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FLHWJKMEVNETFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-7-6(3)8(11(15)16-5-2)10(14)12-9(7)13/h4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 135431328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).