2,3-dibromo-6-hydroxybenzaldehyde

C7H4Br2O2 — CID 87379563

IUPAC2,3-dibromo-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)ccc(Br)c1Br
InChIInChI=1S/C7H4Br2O2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-3,11H
InChIKeyVCFZAHVTDZPJRP-UHFFFAOYSA-N
MW279.91 g/mol
LogP2.73
Rot. Bonds1

About 2,3-dibromo-6-hydroxybenzaldehyde

2,3-dibromo-6-hydroxybenzaldehyde (PubChem CID 87379563) has the molecular formula C7H4Br2O2 and a molecular weight of 279.91 g/mol. Its IUPAC name is 2,3-dibromo-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,3-dibromo-6-hydroxybenzaldehyde
PubChem CID87379563
Molecular FormulaC7H4Br2O2
Molecular Weight279.91 g/mol
Exact Mass277.86
IUPAC Name2,3-dibromo-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)ccc(Br)c1Br
InChIInChI=1S/C7H4Br2O2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-3,11H
InChIKeyVCFZAHVTDZPJRP-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-hydroxybenzaldehyde?
The IUPAC name of 2,3-dibromo-6-hydroxybenzaldehyde (CID 87379563) is 2,3-dibromo-6-hydroxybenzaldehyde.
What is the SMILES notation for 2,3-dibromo-6-hydroxybenzaldehyde?
The canonical SMILES for 2,3-dibromo-6-hydroxybenzaldehyde is O=Cc1c(O)ccc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-6-hydroxybenzaldehyde?
The InChIKey is VCFZAHVTDZPJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2O2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-3,11H.
What are the key properties of 2,3-dibromo-6-hydroxybenzaldehyde?
2,3-dibromo-6-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 2,3-dibromo-6-hydroxybenzaldehyde is sourced from PubChem (CID 87379563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).