2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid

C9H5BrO4 — CID 83901348

IUPAC2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(Br)oc2c1O
InChIInChI=1S/C9H5BrO4/c10-6-3-4-1-2-5(9(12)13)7(11)8(4)14-6/h1-3,11H,(H,12,13)
InChIKeyMBUCRNFGHRUPRU-UHFFFAOYSA-N
MW257.04 g/mol
LogP2.60
Rot. Bonds1

About 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid

2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid (PubChem CID 83901348) has the molecular formula C9H5BrO4 and a molecular weight of 257.04 g/mol. Its IUPAC name is 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid
PubChem CID83901348
Molecular FormulaC9H5BrO4
Molecular Weight257.04 g/mol
Exact Mass255.94
IUPAC Name2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid
SMILESO=C(O)c1ccc2cc(Br)oc2c1O
InChIInChI=1S/C9H5BrO4/c10-6-3-4-1-2-5(9(12)13)7(11)8(4)14-6/h1-3,11H,(H,12,13)
InChIKeyMBUCRNFGHRUPRU-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.04
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-7-hydroxy-1-benzofuran-6-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 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid?
The IUPAC name of 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid (CID 83901348) is 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid is O=C(O)c1ccc2cc(Br)oc2c1O.
What is the InChIKey of 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid?
The InChIKey is MBUCRNFGHRUPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrO4/c10-6-3-4-1-2-5(9(12)13)7(11)8(4)14-6/h1-3,11H,(H,12,13).
What are the key properties of 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid?
2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid has a molecular weight of 257.04 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-hydroxy-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 83901348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).