3,5-dibromo-4-hydroxybenzaldehyde

C7H4Br2O2 — CID 18100

IUPAC3,5-dibromo-4-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKeySXRHGLQCOLNZPT-UHFFFAOYSA-N
MW279.92 g/mol
LogP2.73
Rot. Bonds1

About 3,5-dibromo-4-hydroxybenzaldehyde

3,5-dibromo-4-hydroxybenzaldehyde (PubChem CID 18100) has the molecular formula C7H4Br2O2 and a molecular weight of 279.92 g/mol. Its IUPAC name is 3,5-dibromo-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-hydroxybenzaldehyde
PubChem CID18100
Molecular FormulaC7H4Br2O2
Molecular Weight279.92 g/mol
Exact Mass277.86
IUPAC Name3,5-dibromo-4-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKeySXRHGLQCOLNZPT-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 ≤ 500279.92
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-Dibromo-4-hydroxybenzoic acid
CID 76857
3-Bromo-4-hydroxybenzoic acid
CID 84368
3,5-Dibromosalicylaldehyde
CID 7024
3-Bromo-4-hydroxybenzaldehyde
CID 76308
5-Bromo-3,4-dihydroxybenzaldehyde
CID 85405
3,5-Dibromo-4-hydroxybenzamide
CID 3014162
2,4-Dibromo-5-hydroxybenzaldehyde
CID 4303535
3-Bromo-2-hydroxybenzaldehyde
CID 10910555
1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one
CID 76158
1-(3-Bromo-4-hydroxyphenyl)ethanone
CID 608094
4-Bromo-3-hydroxybenzaldehyde
CID 14759395
Methyl 3,5-dibromo-4-hydroxybenzoate
CID 726975

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-hydroxybenzaldehyde?
The IUPAC name of 3,5-dibromo-4-hydroxybenzaldehyde (CID 18100) is 3,5-dibromo-4-hydroxybenzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-hydroxybenzaldehyde?
The canonical SMILES for 3,5-dibromo-4-hydroxybenzaldehyde is O=Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-hydroxybenzaldehyde?
The InChIKey is SXRHGLQCOLNZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H.
What are the key properties of 3,5-dibromo-4-hydroxybenzaldehyde?
3,5-dibromo-4-hydroxybenzaldehyde has a molecular weight of 279.92 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-4-hydroxybenzaldehyde is sourced from PubChem (CID 18100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).