ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate

C12H17NO4 — CID 58307485

IUPACethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
SMILESCCCn1c(C)c(C(=O)OCC)c(O)cc1=O
InChIInChI=1S/C12H17NO4/c1-4-6-13-8(3)11(12(16)17-5-2)9(14)7-10(13)15/h7,14H,4-6H2,1-3H3
InChIKeyHXDGACFQSLRTOV-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.45
Rot. Bonds4

About ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate

ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate (PubChem CID 58307485) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
PubChem CID58307485
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
SMILESCCCn1c(C)c(C(=O)OCC)c(O)cc1=O
InChIInChI=1S/C12H17NO4/c1-4-6-13-8(3)11(12(16)17-5-2)9(14)7-10(13)15/h7,14H,4-6H2,1-3H3
InChIKeyHXDGACFQSLRTOV-UHFFFAOYSA-N
XLogP1.45
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate
CID 104765324
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate
CID 110273598
ethyl 1-(2,3-dimethylbutyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 64599477
ethyl 4-hydroxy-2-oxo-1-propylpyridine-3-carboxylate
CID 101491148
ethyl 4-hydroxy-1-methyl-6-oxopyridazine-3-carboxylate
CID 89128623
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
ethyl 3-methyl-5-oxo-2-propyl-1,2-oxazole-4-carboxylate
CID 44549790
ethyl 5-methyl-4-nitro-1-propylpyrrole-2-carboxylate
CID 852010
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 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate
CID 67893450

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate (CID 58307485) is ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate is CCCn1c(C)c(C(=O)OCC)c(O)cc1=O.
What is the InChIKey of ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate?
The InChIKey is HXDGACFQSLRTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-6-13-8(3)11(12(16)17-5-2)9(14)7-10(13)15/h7,14H,4-6H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate?
ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate is sourced from PubChem (CID 58307485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).