2,6-Dibromoaniline

C6H5Br2N — CID 69098

IUPAC2,6-dibromoaniline
SMILESC1=CC(=C(C(=C1)Br)N)Br
InChIInChI=1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKeyXIRRDAWDNHRRLB-UHFFFAOYSA-N
MW250.92 g/mol
LogP2.60
Rot. Bonds

About 2,6-Dibromoaniline

2,6-Dibromoaniline (PubChem CID 69098) has the molecular formula C6H5Br2N and a molecular weight of 250.92 g/mol. Its IUPAC name is 2,6-dibromoaniline.

Molecular Properties

Compound Name2,6-Dibromoaniline
PubChem CID69098
Molecular FormulaC6H5Br2N
Molecular Weight250.92 g/mol
Exact Mass250.88
IUPAC Name2,6-dibromoaniline
SMILESC1=CC(=C(C(=C1)Br)N)Br
InChIInChI=1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKeyXIRRDAWDNHRRLB-UHFFFAOYSA-N
XLogP2.60
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity87

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.92
LogP ≤ 52.60
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 2,6-Dibromoaniline?
The IUPAC name of 2,6-Dibromoaniline (CID 69098) is 2,6-dibromoaniline.
What is the SMILES notation for 2,6-Dibromoaniline?
The canonical SMILES for 2,6-Dibromoaniline is C1=CC(=C(C(=C1)Br)N)Br.
What is the InChIKey of 2,6-Dibromoaniline?
The InChIKey is XIRRDAWDNHRRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2.
What are the key properties of 2,6-Dibromoaniline?
2,6-Dibromoaniline has a molecular weight of 250.92 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-Dibromoaniline is sourced from PubChem (CID 69098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).