5-bromobenzene-1,3-diol

C6H5BrO2 — CID 557383

IUPAC5-bromobenzene-1,3-diol
SMILESOc1cc(O)cc(Br)c1
InChIInChI=1S/C6H5BrO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
InChIKeyHYHHGFFTWSYNMV-UHFFFAOYSA-N
MW189.01 g/mol
LogP1.86
Rot. Bonds

About 5-bromobenzene-1,3-diol

5-bromobenzene-1,3-diol (PubChem CID 557383) has the molecular formula C6H5BrO2 and a molecular weight of 189.01 g/mol. Its IUPAC name is 5-bromobenzene-1,3-diol.

Molecular Properties

Compound Name5-bromobenzene-1,3-diol
PubChem CID557383
Molecular FormulaC6H5BrO2
Molecular Weight189.01 g/mol
Exact Mass187.95
IUPAC Name5-bromobenzene-1,3-diol
SMILESOc1cc(O)cc(Br)c1
InChIInChI=1S/C6H5BrO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
InChIKeyHYHHGFFTWSYNMV-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromobenzene-1,3-diol 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-bromobenzene-1,3-diol?
The IUPAC name of 5-bromobenzene-1,3-diol (CID 557383) is 5-bromobenzene-1,3-diol.
What is the SMILES notation for 5-bromobenzene-1,3-diol?
The canonical SMILES for 5-bromobenzene-1,3-diol is Oc1cc(O)cc(Br)c1.
What is the InChIKey of 5-bromobenzene-1,3-diol?
The InChIKey is HYHHGFFTWSYNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H.
What are the key properties of 5-bromobenzene-1,3-diol?
5-bromobenzene-1,3-diol has a molecular weight of 189.01 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromobenzene-1,3-diol is sourced from PubChem (CID 557383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).