7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid

C8H6N2O3 — CID 53413178

IUPAC7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]ccc12
InChIInChI=1S/C8H6N2O3/c11-7-6-4(1-2-9-7)5(3-10-6)8(12)13/h1-3,10H,(H,9,11)(H,12,13)
InChIKeyDQWAJFZLENIDQE-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.55
Rot. Bonds1

About 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid

7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid (PubChem CID 53413178) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid
PubChem CID53413178
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]ccc12
InChIInChI=1S/C8H6N2O3/c11-7-6-4(1-2-9-7)5(3-10-6)8(12)13/h1-3,10H,(H,9,11)(H,12,13)
InChIKeyDQWAJFZLENIDQE-UHFFFAOYSA-N
XLogP0.55
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 7-oxo-1,6-dihydropyrrolo[2,3-c]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 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid (CID 53413178) is 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2c(=O)[nH]ccc12.
What is the InChIKey of 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is DQWAJFZLENIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7-6-4(1-2-9-7)5(3-10-6)8(12)13/h1-3,10H,(H,9,11)(H,12,13).
What are the key properties of 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 53413178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).