2,4,6-tribromoaniline

C6H4Br3N — CID 8986

IUPAC2,4,6-tribromoaniline
SMILESNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKeyGVPODVKBTHCGFU-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.56
Rot. Bonds

About 2,4,6-tribromoaniline

2,4,6-tribromoaniline (PubChem CID 8986) has the molecular formula C6H4Br3N and a molecular weight of 329.82 g/mol. Its IUPAC name is 2,4,6-tribromoaniline.

Molecular Properties

Compound Name2,4,6-tribromoaniline
PubChem CID8986
Molecular FormulaC6H4Br3N
Molecular Weight329.82 g/mol
Exact Mass326.79
IUPAC Name2,4,6-tribromoaniline
SMILESNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKeyGVPODVKBTHCGFU-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4,6-tribromoaniline 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

4-Bromoaniline
CID 7807
2-Bromoaniline
CID 11992
2,4-Dibromoaniline
CID 12004
2,6-Dibromoaniline
CID 69098
2-Bromo-4-fluoroaniline
CID 242873
4-Bromo-2,6-difluoroaniline
CID 610191
4-Bromo-3-fluoroaniline
CID 821848
4-Bromo-3,5-difluoroaniline
CID 2736260
2-Bromo-6-fluoroaniline
CID 2782940
2,5-Dibromoaniline
CID 77198
2,6-Dibromo-1,4-phenylenediamine
CID 653341
3,5-Dibromoaniline
CID 221512

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromoaniline?
The IUPAC name of 2,4,6-tribromoaniline (CID 8986) is 2,4,6-tribromoaniline.
What is the SMILES notation for 2,4,6-tribromoaniline?
The canonical SMILES for 2,4,6-tribromoaniline is Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromoaniline?
The InChIKey is GVPODVKBTHCGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2.
What are the key properties of 2,4,6-tribromoaniline?
2,4,6-tribromoaniline has a molecular weight of 329.82 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromoaniline is sourced from PubChem (CID 8986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).