2-amino-4-bromo-5-chlorobenzaldehyde

C7H5BrClNO — CID 118953742

IUPAC2-amino-4-bromo-5-chlorobenzaldehyde
SMILESNc1cc(Br)c(Cl)cc1C=O
InChIInChI=1S/C7H5BrClNO/c8-5-2-7(10)4(3-11)1-6(5)9/h1-3H,10H2
InChIKeyQGCVGNGGGLOCDN-UHFFFAOYSA-N
MW234.48 g/mol
LogP2.50
Rot. Bonds1

About 2-amino-4-bromo-5-chlorobenzaldehyde

2-amino-4-bromo-5-chlorobenzaldehyde (PubChem CID 118953742) has the molecular formula C7H5BrClNO and a molecular weight of 234.48 g/mol. Its IUPAC name is 2-amino-4-bromo-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-amino-4-bromo-5-chlorobenzaldehyde
PubChem CID118953742
Molecular FormulaC7H5BrClNO
Molecular Weight234.48 g/mol
Exact Mass232.92
IUPAC Name2-amino-4-bromo-5-chlorobenzaldehyde
SMILESNc1cc(Br)c(Cl)cc1C=O
InChIInChI=1S/C7H5BrClNO/c8-5-2-7(10)4(3-11)1-6(5)9/h1-3H,10H2
InChIKeyQGCVGNGGGLOCDN-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-5-chlorobenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-4-chloro-2-methylbenzaldehyde
CID 84796500
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549
3-amino-6,7-dichloronaphthalene-2-carbaldehyde
CID 57122815
2-amino-5-chloro-4-nitrobenzaldehyde
CID 11344681
2-amino-5-chloro-4-(trifluoromethyl)benzaldehyde
CID 119009707
2-acetyl-4-bromo-5-chlorobenzaldehyde
CID 171000585
2-amino-5-bromo-4-fluorobenzaldehyde;methanol
CID 164870207
5-bromo-4-chloro-2-ethylaniline
CID 123680032
2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
CID 159753052
2-amino-4-chloro-5-ethoxybenzaldehyde
CID 130139421
(E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol
CID 139294915
5-bromo-4-chloro-2-methoxyaniline
CID 75537158

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-chlorobenzaldehyde?
The IUPAC name of 2-amino-4-bromo-5-chlorobenzaldehyde (CID 118953742) is 2-amino-4-bromo-5-chlorobenzaldehyde.
What is the SMILES notation for 2-amino-4-bromo-5-chlorobenzaldehyde?
The canonical SMILES for 2-amino-4-bromo-5-chlorobenzaldehyde is Nc1cc(Br)c(Cl)cc1C=O.
What is the InChIKey of 2-amino-4-bromo-5-chlorobenzaldehyde?
The InChIKey is QGCVGNGGGLOCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO/c8-5-2-7(10)4(3-11)1-6(5)9/h1-3H,10H2.
What are the key properties of 2-amino-4-bromo-5-chlorobenzaldehyde?
2-amino-4-bromo-5-chlorobenzaldehyde has a molecular weight of 234.48 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-chlorobenzaldehyde is sourced from PubChem (CID 118953742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).