2,4-dibromo-6-chloroaniline

C6H4Br2ClN — CID 4295982

IUPAC2,4-dibromo-6-chloroaniline
SMILESNc1c(Cl)cc(Br)cc1Br
InChIInChI=1S/C6H4Br2ClN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKeyMFROLNRQDCAZCD-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.45
Rot. Bonds

About 2,4-dibromo-6-chloroaniline

2,4-dibromo-6-chloroaniline (PubChem CID 4295982) has the molecular formula C6H4Br2ClN and a molecular weight of 285.37 g/mol. Its IUPAC name is 2,4-dibromo-6-chloroaniline.

Molecular Properties

Compound Name2,4-dibromo-6-chloroaniline
PubChem CID4295982
Molecular FormulaC6H4Br2ClN
Molecular Weight285.37 g/mol
Exact Mass282.84
IUPAC Name2,4-dibromo-6-chloroaniline
SMILESNc1c(Cl)cc(Br)cc1Br
InChIInChI=1S/C6H4Br2ClN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKeyMFROLNRQDCAZCD-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-chloroaniline?
The IUPAC name of 2,4-dibromo-6-chloroaniline (CID 4295982) is 2,4-dibromo-6-chloroaniline.
What is the SMILES notation for 2,4-dibromo-6-chloroaniline?
The canonical SMILES for 2,4-dibromo-6-chloroaniline is Nc1c(Cl)cc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-6-chloroaniline?
The InChIKey is MFROLNRQDCAZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2ClN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2.
What are the key properties of 2,4-dibromo-6-chloroaniline?
2,4-dibromo-6-chloroaniline has a molecular weight of 285.37 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-chloroaniline is sourced from PubChem (CID 4295982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).