2,5-dibromo-3,4-dihydroxybenzaldehyde

C7H4Br2O3 — CID 3613602

IUPAC2,5-dibromo-3,4-dihydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(O)c(O)c1Br
InChIInChI=1S/C7H4Br2O3/c8-4-1-3(2-10)5(9)7(12)6(4)11/h1-2,11-12H
InChIKeyRMVZWWRDAIPUJH-UHFFFAOYSA-N
MW295.91 g/mol
LogP2.44
Rot. Bonds1

About 2,5-dibromo-3,4-dihydroxybenzaldehyde

2,5-dibromo-3,4-dihydroxybenzaldehyde (PubChem CID 3613602) has the molecular formula C7H4Br2O3 and a molecular weight of 295.91 g/mol. Its IUPAC name is 2,5-dibromo-3,4-dihydroxybenzaldehyde.

Molecular Properties

Compound Name2,5-dibromo-3,4-dihydroxybenzaldehyde
PubChem CID3613602
Molecular FormulaC7H4Br2O3
Molecular Weight295.91 g/mol
Exact Mass293.85
IUPAC Name2,5-dibromo-3,4-dihydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(O)c(O)c1Br
InChIInChI=1S/C7H4Br2O3/c8-4-1-3(2-10)5(9)7(12)6(4)11/h1-2,11-12H
InChIKeyRMVZWWRDAIPUJH-UHFFFAOYSA-N
XLogP2.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.91
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3,4-dihydroxybenzaldehyde?
The IUPAC name of 2,5-dibromo-3,4-dihydroxybenzaldehyde (CID 3613602) is 2,5-dibromo-3,4-dihydroxybenzaldehyde.
What is the SMILES notation for 2,5-dibromo-3,4-dihydroxybenzaldehyde?
The canonical SMILES for 2,5-dibromo-3,4-dihydroxybenzaldehyde is O=Cc1cc(Br)c(O)c(O)c1Br.
What is the InChIKey of 2,5-dibromo-3,4-dihydroxybenzaldehyde?
The InChIKey is RMVZWWRDAIPUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O3/c8-4-1-3(2-10)5(9)7(12)6(4)11/h1-2,11-12H.
What are the key properties of 2,5-dibromo-3,4-dihydroxybenzaldehyde?
2,5-dibromo-3,4-dihydroxybenzaldehyde has a molecular weight of 295.91 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3,4-dihydroxybenzaldehyde is sourced from PubChem (CID 3613602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).