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

C10H13NO4 — CID 58024646

IUPACmethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCc1c(C)[nH]c(=O)c(C(=O)OC)c1O
InChIInChI=1S/C10H13NO4/c1-4-6-5(2)11-9(13)7(8(6)12)10(14)15-3/h4H2,1-3H3,(H2,11,12,13)
InChIKeyCOSZTVFMANTNDQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.74
Rot. Bonds2

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

methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 58024646) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID58024646
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCc1c(C)[nH]c(=O)c(C(=O)OC)c1O
InChIInChI=1S/C10H13NO4/c1-4-6-5(2)11-9(13)7(8(6)12)10(14)15-3/h4H2,1-3H3,(H2,11,12,13)
InChIKeyCOSZTVFMANTNDQ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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
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
methyl 1-ethyl-7-hydroxy-3-methyl-5-oxo-4H-pyrazolo[4,5-b]pyridine-6-carboxylate
CID 140830714
methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 54726653
methyl 1,5,6-triethyl-4-hydroxy-2-oxopyridine-3-carboxylate
CID 91578583
methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 55254534
diethyl 2,5-diethyl-3,6-dihydroxybenzene-1,4-dicarboxylate
CID 176550892
methyl 4-hydroxy-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 70278471
methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate
CID 71285154
4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 53249439
ethyl 5-ethyl-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 135431328

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 58024646) is methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate is CCc1c(C)[nH]c(=O)c(C(=O)OC)c1O.
What is the InChIKey of methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is COSZTVFMANTNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-6-5(2)11-9(13)7(8(6)12)10(14)15-3/h4H2,1-3H3,(H2,11,12,13).
What are the key properties of methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 58024646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).