methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate

C10H11NO4 — CID 2289888

IUPACmethyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(C)=O)c(C)[nH]c1=O
InChIInChI=1S/C10H11NO4/c1-5-7(6(2)12)4-8(9(13)11-5)10(14)15-3/h4H,1-3H3,(H,11,13)
InChIKeyFTGXNLWWMZEWNF-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.67
Rot. Bonds2

About methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate

methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2289888) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID2289888
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(C)=O)c(C)[nH]c1=O
InChIInChI=1S/C10H11NO4/c1-5-7(6(2)12)4-8(9(13)11-5)10(14)15-3/h4H,1-3H3,(H,11,13)
InChIKeyFTGXNLWWMZEWNF-UHFFFAOYSA-N
XLogP0.67
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-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 methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 2289888) is methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate is COC(=O)c1cc(C(C)=O)c(C)[nH]c1=O.
What is the InChIKey of methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is FTGXNLWWMZEWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-5-7(6(2)12)4-8(9(13)11-5)10(14)15-3/h4H,1-3H3,(H,11,13).
What are the key properties of methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2289888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).