ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate

C11H15NO3 — CID 129116376

IUPACethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cnc(C)c(O)c1C
InChIInChI=1S/C11H15NO3/c1-4-15-10(13)5-9-6-12-8(3)11(14)7(9)2/h6,14H,4-5H2,1-3H3
InChIKeyNWBJQTUWFDURJH-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.51
Rot. Bonds3

About ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate

ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate (PubChem CID 129116376) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
PubChem CID129116376
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
SMILESCCOC(=O)Cc1cnc(C)c(O)c1C
InChIInChI=1S/C11H15NO3/c1-4-15-10(13)5-9-6-12-8(3)11(14)7(9)2/h6,14H,4-5H2,1-3H3
InChIKeyNWBJQTUWFDURJH-UHFFFAOYSA-N
XLogP1.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate
CID 139770420
ethyl 3-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]propanoate
CID 71252994
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 2-[5-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662248
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102379
ethyl 2-[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659980
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
CID 26604
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 2-[4-(chloromethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101951
ethyl 2-[6-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134680236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate (CID 129116376) is ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate is CCOC(=O)Cc1cnc(C)c(O)c1C.
What is the InChIKey of ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate?
The InChIKey is NWBJQTUWFDURJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-15-10(13)5-9-6-12-8(3)11(14)7(9)2/h6,14H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate?
ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate is sourced from PubChem (CID 129116376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).