4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid

C9H4Br2O4 — CID 59260237

IUPAC4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2cc(Br)c(O)c(Br)c12
InChIInChI=1S/C9H4Br2O4/c10-4-1-5-6(7(11)8(4)12)3(2-15-5)9(13)14/h1-2,12H,(H,13,14)
InChIKeyFQNXEUPTSCYKQK-UHFFFAOYSA-N
MW335.94 g/mol
LogP3.36
Rot. Bonds1

About 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid

4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid (PubChem CID 59260237) has the molecular formula C9H4Br2O4 and a molecular weight of 335.94 g/mol. Its IUPAC name is 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid
PubChem CID59260237
Molecular FormulaC9H4Br2O4
Molecular Weight335.94 g/mol
Exact Mass333.85
IUPAC Name4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2cc(Br)c(O)c(Br)c12
InChIInChI=1S/C9H4Br2O4/c10-4-1-5-6(7(11)8(4)12)3(2-15-5)9(13)14/h1-2,12H,(H,13,14)
InChIKeyFQNXEUPTSCYKQK-UHFFFAOYSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.94
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid?
The IUPAC name of 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid (CID 59260237) is 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid is O=C(O)c1coc2cc(Br)c(O)c(Br)c12.
What is the InChIKey of 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid?
The InChIKey is FQNXEUPTSCYKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2O4/c10-4-1-5-6(7(11)8(4)12)3(2-15-5)9(13)14/h1-2,12H,(H,13,14).
What are the key properties of 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid?
4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid has a molecular weight of 335.94 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-5-hydroxy-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 59260237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).