7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C14H9FN2O3 — CID 58016381

IUPAC7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(=O)n(-c3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C14H9FN2O3/c15-9-2-4-10(5-3-9)17-12(18)6-1-8-7-11(14(19)20)16-13(8)17/h1-7,16H,(H,19,20)
InChIKeyCFYXQIRGGLZKNO-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.16
Rot. Bonds2

About 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 58016381) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID58016381
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(=O)n(-c3ccc(F)cc3)c2[nH]1
InChIInChI=1S/C14H9FN2O3/c15-9-2-4-10(5-3-9)17-12(18)6-1-8-7-11(14(19)20)16-13(8)17/h1-7,16H,(H,19,20)
InChIKeyCFYXQIRGGLZKNO-UHFFFAOYSA-N
XLogP2.16
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-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-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 58016381) is 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2ccc(=O)n(-c3ccc(F)cc3)c2[nH]1.
What is the InChIKey of 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is CFYXQIRGGLZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-9-2-4-10(5-3-9)17-12(18)6-1-8-7-11(14(19)20)16-13(8)17/h1-7,16H,(H,19,20).
What are the key properties of 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?
7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 58016381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).