methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate

C8H9NO3 — CID 46223842

IUPACmethyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C8H9NO3/c1-5-3-7(10)9-4-6(5)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKeyBKSGNTPBLHYHOI-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.47
Rot. Bonds1

About methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate

methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 46223842) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID46223842
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)cc1C
InChIInChI=1S/C8H9NO3/c1-5-3-7(10)9-4-6(5)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKeyBKSGNTPBLHYHOI-UHFFFAOYSA-N
XLogP0.47
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-methyl-6-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 4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 46223842) is methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)cc1C.
What is the InChIKey of methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BKSGNTPBLHYHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-7(10)9-4-6(5)8(11)12-2/h3-4H,1-2H3,(H,9,10).
What are the key properties of methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 46223842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).