diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate

C12H15NO5 — CID 15163569

IUPACdiethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate
SMILESCCOC(=O)c1cnc(C)c(O)c1C(=O)OCC
InChIInChI=1S/C12H15NO5/c1-4-17-11(15)8-6-13-7(3)10(14)9(8)12(16)18-5-2/h6,14H,4-5H2,1-3H3
InChIKeyJXEMVHUBFNXQSY-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.45
Rot. Bonds4

About diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate

diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate (PubChem CID 15163569) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate
PubChem CID15163569
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namediethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate
SMILESCCOC(=O)c1cnc(C)c(O)c1C(=O)OCC
InChIInChI=1S/C12H15NO5/c1-4-17-11(15)8-6-13-7(3)10(14)9(8)12(16)18-5-2/h6,14H,4-5H2,1-3H3
InChIKeyJXEMVHUBFNXQSY-UHFFFAOYSA-N
XLogP1.45
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyridoxal
CID 1050
Pyridoxal 5'-phosphate
CID 1051
Pyridoxal 5'-phosphate monohydrate
CID 38882
4-Pyridoxic Acid
CID 6723
Pyridoxal hydrochloride
CID 6171
7-hydroxy-6-methylfuro(3,4-c)pyridin-3(1H)-one
CID 78300
4-Pyridoxolactone
CID 151228
Pirisudanol
CID 65782
5-Hydroxy-6-methyl-3,4-pyridinedicarboxylic acid
CID 440403
5-Formyl-3-hydroxy-2-methyl-4-pyridinecarboxylic acid
CID 440898
(4-Formyl-6-methyl-5-oxidopyridin-3-yl)methyl hydrogen phosphate
CID 644168
3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate
CID 54718174

Frequently Asked Questions

What is the IUPAC name of diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate?
The IUPAC name of diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate (CID 15163569) is diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate.
What is the SMILES notation for diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate?
The canonical SMILES for diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate is CCOC(=O)c1cnc(C)c(O)c1C(=O)OCC.
What is the InChIKey of diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate?
The InChIKey is JXEMVHUBFNXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-4-17-11(15)8-6-13-7(3)10(14)9(8)12(16)18-5-2/h6,14H,4-5H2,1-3H3.
What are the key properties of diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate?
diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate has a molecular weight of 253.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-hydroxy-6-methylpyridine-3,4-dicarboxylate is sourced from PubChem (CID 15163569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).