2-bromo-5-chloro-4-hydroxybenzaldehyde

C7H4BrClO2 — CID 131336332

IUPAC2-bromo-5-chloro-4-hydroxybenzaldehyde
SMILESO=Cc1cc(Cl)c(O)cc1Br
InChIInChI=1S/C7H4BrClO2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H
InChIKeyDSOLKIYZTRFGBD-UHFFFAOYSA-N
MW235.46 g/mol
LogP2.62
Rot. Bonds1

About 2-bromo-5-chloro-4-hydroxybenzaldehyde

2-bromo-5-chloro-4-hydroxybenzaldehyde (PubChem CID 131336332) has the molecular formula C7H4BrClO2 and a molecular weight of 235.46 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-5-chloro-4-hydroxybenzaldehyde
PubChem CID131336332
Molecular FormulaC7H4BrClO2
Molecular Weight235.46 g/mol
Exact Mass233.91
IUPAC Name2-bromo-5-chloro-4-hydroxybenzaldehyde
SMILESO=Cc1cc(Cl)c(O)cc1Br
InChIInChI=1S/C7H4BrClO2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H
InChIKeyDSOLKIYZTRFGBD-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.46
LogP ≤ 52.62
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-bromo-5-chloro-4-hydroxybenzaldehyde?
The IUPAC name of 2-bromo-5-chloro-4-hydroxybenzaldehyde (CID 131336332) is 2-bromo-5-chloro-4-hydroxybenzaldehyde.
What is the SMILES notation for 2-bromo-5-chloro-4-hydroxybenzaldehyde?
The canonical SMILES for 2-bromo-5-chloro-4-hydroxybenzaldehyde is O=Cc1cc(Cl)c(O)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-4-hydroxybenzaldehyde?
The InChIKey is DSOLKIYZTRFGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H.
What are the key properties of 2-bromo-5-chloro-4-hydroxybenzaldehyde?
2-bromo-5-chloro-4-hydroxybenzaldehyde has a molecular weight of 235.46 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-hydroxybenzaldehyde is sourced from PubChem (CID 131336332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).