3,5-dibromobenzene-1,2-diol

C6H4Br2O2 — CID 3753114

IUPAC3,5-dibromobenzene-1,2-diol
SMILESOc1cc(Br)cc(Br)c1O
InChIInChI=1S/C6H4Br2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
InChIKeyPSHYJLFHLSZNLM-UHFFFAOYSA-N
MW267.90 g/mol
LogP2.62
Rot. Bonds

About 3,5-dibromobenzene-1,2-diol

3,5-dibromobenzene-1,2-diol (PubChem CID 3753114) has the molecular formula C6H4Br2O2 and a molecular weight of 267.90 g/mol. Its IUPAC name is 3,5-dibromobenzene-1,2-diol.

Molecular Properties

Compound Name3,5-dibromobenzene-1,2-diol
PubChem CID3753114
Molecular FormulaC6H4Br2O2
Molecular Weight267.90 g/mol
Exact Mass265.86
IUPAC Name3,5-dibromobenzene-1,2-diol
SMILESOc1cc(Br)cc(Br)c1O
InChIInChI=1S/C6H4Br2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
InChIKeyPSHYJLFHLSZNLM-UHFFFAOYSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.90
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromobenzene-1,2-diol?
The IUPAC name of 3,5-dibromobenzene-1,2-diol (CID 3753114) is 3,5-dibromobenzene-1,2-diol.
What is the SMILES notation for 3,5-dibromobenzene-1,2-diol?
The canonical SMILES for 3,5-dibromobenzene-1,2-diol is Oc1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromobenzene-1,2-diol?
The InChIKey is PSHYJLFHLSZNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H.
What are the key properties of 3,5-dibromobenzene-1,2-diol?
3,5-dibromobenzene-1,2-diol has a molecular weight of 267.90 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromobenzene-1,2-diol is sourced from PubChem (CID 3753114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).