5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid

C7H7NO4 — CID 46737849

IUPAC5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)c[nH]c1=O
InChIInChI=1S/C7H7NO4/c1-12-5-2-4(7(10)11)3-8-6(5)9/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyZITCWCFJHLJFOA-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.08
Rot. Bonds2

About 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid

5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 46737849) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID46737849
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)c[nH]c1=O
InChIInChI=1S/C7H7NO4/c1-12-5-2-4(7(10)11)3-8-6(5)9/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyZITCWCFJHLJFOA-UHFFFAOYSA-N
XLogP0.08
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid 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 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid (CID 46737849) is 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid is COc1cc(C(=O)O)c[nH]c1=O.
What is the InChIKey of 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ZITCWCFJHLJFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-12-5-2-4(7(10)11)3-8-6(5)9/h2-3H,1H3,(H,8,9)(H,10,11).
What are the key properties of 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid?
5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 46737849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).