About 3-bromo-4,5-dichlorobenzene-1,2-diamine
3-bromo-4,5-dichlorobenzene-1,2-diamine (PubChem CID 10848635) has the molecular formula C6H5BrCl2N2
and a molecular weight of 255.93 g/mol. Its IUPAC name is 3-bromo-4,5-dichlorobenzene-1,2-diamine.
Molecular Properties
| Compound Name | 3-bromo-4,5-dichlorobenzene-1,2-diamine |
|---|
| PubChem CID | 10848635 |
|---|
| Molecular Formula | C6H5BrCl2N2 |
|---|
| Molecular Weight | 255.93 g/mol |
|---|
| Exact Mass | 253.90 |
|---|
| IUPAC Name | 3-bromo-4,5-dichlorobenzene-1,2-diamine |
|---|
| SMILES | Nc1cc(Cl)c(Cl)c(Br)c1N |
|---|
| InChI | InChI=1S/C6H5BrCl2N2/c7-4-5(9)2(8)1-3(10)6(4)11/h1H,10-11H2 |
|---|
| InChIKey | LQKLTIATTYQIID-UHFFFAOYSA-N |
|---|
| XLogP | 2.92 |
|---|
| TPSA | 52.04 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 255.93 |
| LogP ≤ 5 | 2.92 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
|---|
Analyze 3-bromo-4,5-dichlorobenzene-1,2-diamine 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 3-bromo-4,5-dichlorobenzene-1,2-diamine?
The IUPAC name of 3-bromo-4,5-dichlorobenzene-1,2-diamine (CID 10848635) is 3-bromo-4,5-dichlorobenzene-1,2-diamine.
What is the SMILES notation for 3-bromo-4,5-dichlorobenzene-1,2-diamine?
The canonical SMILES for 3-bromo-4,5-dichlorobenzene-1,2-diamine is Nc1cc(Cl)c(Cl)c(Br)c1N.
What is the InChIKey of 3-bromo-4,5-dichlorobenzene-1,2-diamine?
The InChIKey is LQKLTIATTYQIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrCl2N2/c7-4-5(9)2(8)1-3(10)6(4)11/h1H,10-11H2.
What are the key properties of 3-bromo-4,5-dichlorobenzene-1,2-diamine?
3-bromo-4,5-dichlorobenzene-1,2-diamine has a molecular weight of 255.93 g/mol, XLogP of 2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5-dichlorobenzene-1,2-diamine is sourced from PubChem (CID 10848635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).