5,7-dibromo-1-benzofuran-2-carboxylate

C9H3Br2O3- — CID 7062553

IUPAC5,7-dibromo-1-benzofuran-2-carboxylate
SMILESO=C([O-])c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C9H4Br2O3/c10-5-1-4-2-7(9(12)13)14-8(4)6(11)3-5/h1-3H,(H,12,13)/p-1
InChIKeyPTCVMMBMRYJVFE-UHFFFAOYSA-M
MW318.93 g/mol
LogP2.32
Rot. Bonds1

About 5,7-dibromo-1-benzofuran-2-carboxylate

5,7-dibromo-1-benzofuran-2-carboxylate (PubChem CID 7062553) has the molecular formula C9H3Br2O3- and a molecular weight of 318.93 g/mol. Its IUPAC name is 5,7-dibromo-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name5,7-dibromo-1-benzofuran-2-carboxylate
PubChem CID7062553
Molecular FormulaC9H3Br2O3-
Molecular Weight318.93 g/mol
Exact Mass316.85
IUPAC Name5,7-dibromo-1-benzofuran-2-carboxylate
SMILESO=C([O-])c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C9H4Br2O3/c10-5-1-4-2-7(9(12)13)14-8(4)6(11)3-5/h1-3H,(H,12,13)/p-1
InChIKeyPTCVMMBMRYJVFE-UHFFFAOYSA-M
XLogP2.32
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.93
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,7-dibromo-1-benzofuran-2-carboxylate 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 5,7-dibromo-1-benzofuran-2-carboxylate?
The IUPAC name of 5,7-dibromo-1-benzofuran-2-carboxylate (CID 7062553) is 5,7-dibromo-1-benzofuran-2-carboxylate.
What is the SMILES notation for 5,7-dibromo-1-benzofuran-2-carboxylate?
The canonical SMILES for 5,7-dibromo-1-benzofuran-2-carboxylate is O=C([O-])c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of 5,7-dibromo-1-benzofuran-2-carboxylate?
The InChIKey is PTCVMMBMRYJVFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H4Br2O3/c10-5-1-4-2-7(9(12)13)14-8(4)6(11)3-5/h1-3H,(H,12,13)/p-1.
What are the key properties of 5,7-dibromo-1-benzofuran-2-carboxylate?
5,7-dibromo-1-benzofuran-2-carboxylate has a molecular weight of 318.93 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7062553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).