ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate

C11H15NO3 — CID 66952994

IUPACethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(=O)n(C)c1C
InChIInChI=1S/C11H15NO3/c1-5-15-11(14)9-6-7(2)10(13)12(4)8(9)3/h6H,5H2,1-4H3
InChIKeyUCIFWWXURDHKLV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.18
Rot. Bonds2

About ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate

ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate (PubChem CID 66952994) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate
PubChem CID66952994
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(=O)n(C)c1C
InChIInChI=1S/C11H15NO3/c1-5-15-11(14)9-6-7(2)10(13)12(4)8(9)3/h6H,5H2,1-4H3
InChIKeyUCIFWWXURDHKLV-UHFFFAOYSA-N
XLogP1.18
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate (CID 66952994) is ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1cc(C)c(=O)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate?
The InChIKey is UCIFWWXURDHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-5-15-11(14)9-6-7(2)10(13)12(4)8(9)3/h6H,5H2,1-4H3.
What are the key properties of ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate?
ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 66952994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).