3,5-dibromo-2-hydroxybenzaldehyde

C7H4Br2O2 — CID 7024

IUPAC3,5-dibromo-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKeyJHZOXYGFQMROFJ-UHFFFAOYSA-N
MW279.91 g/mol
LogP2.73
Rot. Bonds1

About 3,5-dibromo-2-hydroxybenzaldehyde

3,5-dibromo-2-hydroxybenzaldehyde (PubChem CID 7024) has the molecular formula C7H4Br2O2 and a molecular weight of 279.91 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxybenzaldehyde
PubChem CID7024
Molecular FormulaC7H4Br2O2
Molecular Weight279.91 g/mol
Exact Mass277.86
IUPAC Name3,5-dibromo-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKeyJHZOXYGFQMROFJ-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.91
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,5-Dibromosalicylic acid
CID 18464
5-Bromosalicylic acid
CID 6972
3,5-Dibromo-2-methoxybenzoic acid
CID 643392
5-Bromosalicylaldehyde
CID 72863
3,5-Dibromo-4-Hydroxybenzaldehyde
CID 18100
3-Bromo-4-hydroxybenzaldehyde
CID 76308
5'-Bromo-2'-hydroxyacetophenone
CID 95991
3,5-Dibromosalicylamide
CID 352428
3-Bromo-2-hydroxybenzoic acid
CID 520927
22362-66-9
CID 271762
Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester
CID 624217
1-(5-Bromo-2-hydroxyphenyl)propan-1-one
CID 736409

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxybenzaldehyde?
The IUPAC name of 3,5-dibromo-2-hydroxybenzaldehyde (CID 7024) is 3,5-dibromo-2-hydroxybenzaldehyde.
What is the SMILES notation for 3,5-dibromo-2-hydroxybenzaldehyde?
The canonical SMILES for 3,5-dibromo-2-hydroxybenzaldehyde is O=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-2-hydroxybenzaldehyde?
The InChIKey is JHZOXYGFQMROFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H.
What are the key properties of 3,5-dibromo-2-hydroxybenzaldehyde?
3,5-dibromo-2-hydroxybenzaldehyde has a molecular weight of 279.91 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-hydroxybenzaldehyde is sourced from PubChem (CID 7024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).