5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid

C13H9NO4 — CID 115110142

IUPAC5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3ccc(O)cc3o2)[nH]1
InChIInChI=1S/C13H9NO4/c15-8-2-1-7-5-12(18-11(7)6-8)9-3-4-10(14-9)13(16)17/h1-6,14-15H,(H,16,17)
InChIKeyYHZQNUIGITUITC-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.83
Rot. Bonds2

About 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid

5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 115110142) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID115110142
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3ccc(O)cc3o2)[nH]1
InChIInChI=1S/C13H9NO4/c15-8-2-1-7-5-12(18-11(7)6-8)9-3-4-10(14-9)13(16)17/h1-6,14-15H,(H,16,17)
InChIKeyYHZQNUIGITUITC-UHFFFAOYSA-N
XLogP2.83
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-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 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid (CID 115110142) is 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2cc3ccc(O)cc3o2)[nH]1.
What is the InChIKey of 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is YHZQNUIGITUITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c15-8-2-1-7-5-12(18-11(7)6-8)9-3-4-10(14-9)13(16)17/h1-6,14-15H,(H,16,17).
What are the key properties of 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid?
5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-1-benzofuran-2-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 115110142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).