ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate

C10H13NO3 — CID 69296342

IUPACethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)C(=O)CN=C1C
InChIInChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(12)5-11-7(9)3/h4-5H2,1-3H3
InChIKeyJHTLUFIVHPXNIW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.91
Rot. Bonds2

About ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate

ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate (PubChem CID 69296342) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate
PubChem CID69296342
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)C(=O)CN=C1C
InChIInChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(12)5-11-7(9)3/h4-5H2,1-3H3
InChIKeyJHTLUFIVHPXNIW-UHFFFAOYSA-N
XLogP0.91
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate 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

CID 69841136
CID 69841136
CID 135399861
CID 135399861
CID 148447041
CID 148447041
CID 174933447
CID 174933447
CID 135540717
CID 135540717
CID 135802546
CID 135802546
CID 160215999
CID 160215999
CID 171564043
CID 171564043

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate (CID 69296342) is ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)C(=O)CN=C1C.
What is the InChIKey of ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate?
The InChIKey is JHTLUFIVHPXNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(12)5-11-7(9)3/h4-5H2,1-3H3.
What are the key properties of ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate?
ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylate is sourced from PubChem (CID 69296342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).