sodium 3,5-dibromo-2-hydroxybenzoate

C7H3Br2NaO3 — CID 23716294

IUPACsodium 3,5-dibromo-2-hydroxybenzoate
SMILESO=C([O-])c1cc(Br)cc(Br)c1O.[Na+]
InChIInChI=1S/C7H4Br2O3.Na/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1
InChIKeyQFPJMYAAWXLIPY-UHFFFAOYSA-M
MW317.90 g/mol
LogP-1.72
Rot. Bonds1

About sodium 3,5-dibromo-2-hydroxybenzoate

sodium 3,5-dibromo-2-hydroxybenzoate (PubChem CID 23716294) has the molecular formula C7H3Br2NaO3 and a molecular weight of 317.90 g/mol. Its IUPAC name is sodium 3,5-dibromo-2-hydroxybenzoate.

Molecular Properties

Compound Namesodium 3,5-dibromo-2-hydroxybenzoate
PubChem CID23716294
Molecular FormulaC7H3Br2NaO3
Molecular Weight317.90 g/mol
Exact Mass315.83
IUPAC Namesodium 3,5-dibromo-2-hydroxybenzoate
SMILESO=C([O-])c1cc(Br)cc(Br)c1O.[Na+]
InChIInChI=1S/C7H4Br2O3.Na/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1
InChIKeyQFPJMYAAWXLIPY-UHFFFAOYSA-M
XLogP-1.72
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium 3,5-dibromo-2-hydroxybenzoate 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 sodium 3,5-dibromo-2-hydroxybenzoate?
The IUPAC name of sodium 3,5-dibromo-2-hydroxybenzoate (CID 23716294) is sodium 3,5-dibromo-2-hydroxybenzoate.
What is the SMILES notation for sodium 3,5-dibromo-2-hydroxybenzoate?
The canonical SMILES for sodium 3,5-dibromo-2-hydroxybenzoate is O=C([O-])c1cc(Br)cc(Br)c1O.[Na+].
What is the InChIKey of sodium 3,5-dibromo-2-hydroxybenzoate?
The InChIKey is QFPJMYAAWXLIPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4Br2O3.Na/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 3,5-dibromo-2-hydroxybenzoate?
sodium 3,5-dibromo-2-hydroxybenzoate has a molecular weight of 317.90 g/mol, XLogP of -1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3,5-dibromo-2-hydroxybenzoate is sourced from PubChem (CID 23716294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).