ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate

C10H13NO4 — CID 45097237

IUPACethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(O)c1CO
InChIInChI=1S/C10H13NO4/c1-3-15-10(14)7-4-11-6(2)9(13)8(7)5-12/h4,12-13H,3,5H2,1-2H3
InChIKeyAJCFBWXUGRKHNO-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.76
Rot. Bonds3

About ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate

ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate (PubChem CID 45097237) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
PubChem CID45097237
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(O)c1CO
InChIInChI=1S/C10H13NO4/c1-3-15-10(14)7-4-11-6(2)9(13)8(7)5-12/h4,12-13H,3,5H2,1-2H3
InChIKeyAJCFBWXUGRKHNO-UHFFFAOYSA-N
XLogP0.76
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethanone
CID 23342911
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
3-acetyl-5-ethoxycarbonyl-2-methylpyridine-4-carboxylic acid
CID 24973251
ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate
CID 15599062
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl 2,2,2-trifluoroacetate
CID 162159235
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 174533027
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate
CID 122232828
ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate
CID 139770420

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate (CID 45097237) is ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(O)c1CO.
What is the InChIKey of ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is AJCFBWXUGRKHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-15-10(14)7-4-11-6(2)9(13)8(7)5-12/h4,12-13H,3,5H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate?
ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 45097237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).