5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid

C10H6N2O4 — CID 63154194

IUPAC5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C10H6N2O4/c13-8-1-2-9(14)12(8)7-3-6(10(15)16)4-11-5-7/h1-5H,(H,15,16)
InChIKeyYMSZAJYWUZOFAN-UHFFFAOYSA-N
MW218.17 g/mol
LogP0.21
Rot. Bonds2

About 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid

5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid (PubChem CID 63154194) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid
PubChem CID63154194
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C10H6N2O4/c13-8-1-2-9(14)12(8)7-3-6(10(15)16)4-11-5-7/h1-5H,(H,15,16)
InChIKeyYMSZAJYWUZOFAN-UHFFFAOYSA-N
XLogP0.21
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-(2,5-dioxopyrrol-1-yl)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-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid (CID 63154194) is 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(N2C(=O)C=CC2=O)c1.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is YMSZAJYWUZOFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-8-1-2-9(14)12(8)7-3-6(10(15)16)4-11-5-7/h1-5H,(H,15,16).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid?
5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 218.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63154194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).