2,4-dibromo-3,5-dichloroaniline

C6H3Br2Cl2N — CID 26599169

IUPAC2,4-dibromo-3,5-dichloroaniline
SMILESNc1cc(Cl)c(Br)c(Cl)c1Br
InChIInChI=1S/C6H3Br2Cl2N/c7-4-2(9)1-3(11)5(8)6(4)10/h1H,11H2
InChIKeyPVBANICCLVRNTM-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.10
Rot. Bonds

About 2,4-dibromo-3,5-dichloroaniline

2,4-dibromo-3,5-dichloroaniline (PubChem CID 26599169) has the molecular formula C6H3Br2Cl2N and a molecular weight of 319.81 g/mol. Its IUPAC name is 2,4-dibromo-3,5-dichloroaniline.

Molecular Properties

Compound Name2,4-dibromo-3,5-dichloroaniline
PubChem CID26599169
Molecular FormulaC6H3Br2Cl2N
Molecular Weight319.81 g/mol
Exact Mass316.80
IUPAC Name2,4-dibromo-3,5-dichloroaniline
SMILESNc1cc(Cl)c(Br)c(Cl)c1Br
InChIInChI=1S/C6H3Br2Cl2N/c7-4-2(9)1-3(11)5(8)6(4)10/h1H,11H2
InChIKeyPVBANICCLVRNTM-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3,5-dichloroaniline?
The IUPAC name of 2,4-dibromo-3,5-dichloroaniline (CID 26599169) is 2,4-dibromo-3,5-dichloroaniline.
What is the SMILES notation for 2,4-dibromo-3,5-dichloroaniline?
The canonical SMILES for 2,4-dibromo-3,5-dichloroaniline is Nc1cc(Cl)c(Br)c(Cl)c1Br.
What is the InChIKey of 2,4-dibromo-3,5-dichloroaniline?
The InChIKey is PVBANICCLVRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2Cl2N/c7-4-2(9)1-3(11)5(8)6(4)10/h1H,11H2.
What are the key properties of 2,4-dibromo-3,5-dichloroaniline?
2,4-dibromo-3,5-dichloroaniline has a molecular weight of 319.81 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3,5-dichloroaniline is sourced from PubChem (CID 26599169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).