2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde

C8H6BrClO2 — CID 83900355

IUPAC2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1cc(Br)cc(Cl)c1O
InChIInChI=1S/C8H6BrClO2/c9-6-3-5(1-2-11)8(12)7(10)4-6/h2-4,12H,1H2
InChIKeyNIYSPQJSKWPCDC-UHFFFAOYSA-N
MW249.49 g/mol
LogP2.55
Rot. Bonds2

About 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde

2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde (PubChem CID 83900355) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
PubChem CID83900355
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1cc(Br)cc(Cl)c1O
InChIInChI=1S/C8H6BrClO2/c9-6-3-5(1-2-11)8(12)7(10)4-6/h2-4,12H,1H2
InChIKeyNIYSPQJSKWPCDC-UHFFFAOYSA-N
XLogP2.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde (CID 83900355) is 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde is O=CCc1cc(Br)cc(Cl)c1O.
What is the InChIKey of 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde?
The InChIKey is NIYSPQJSKWPCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c9-6-3-5(1-2-11)8(12)7(10)4-6/h2-4,12H,1H2.
What are the key properties of 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde?
2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde has a molecular weight of 249.49 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 83900355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).