2,4,6-tribromo-3,5-diiodoaniline

C6H2Br3I2N — CID 4172413

IUPAC2,4,6-tribromo-3,5-diiodoaniline
SMILESNc1c(Br)c(I)c(Br)c(I)c1Br
InChIInChI=1S/C6H2Br3I2N/c7-1-4(10)2(8)6(12)3(9)5(1)11/h12H2
InChIKeyDBIRYRIKJHAUQX-UHFFFAOYSA-N
MW581.61 g/mol
LogP4.77
Rot. Bonds

About 2,4,6-tribromo-3,5-diiodoaniline

2,4,6-tribromo-3,5-diiodoaniline (PubChem CID 4172413) has the molecular formula C6H2Br3I2N and a molecular weight of 581.61 g/mol. Its IUPAC name is 2,4,6-tribromo-3,5-diiodoaniline.

Molecular Properties

Compound Name2,4,6-tribromo-3,5-diiodoaniline
PubChem CID4172413
Molecular FormulaC6H2Br3I2N
Molecular Weight581.61 g/mol
Exact Mass578.58
IUPAC Name2,4,6-tribromo-3,5-diiodoaniline
SMILESNc1c(Br)c(I)c(Br)c(I)c1Br
InChIInChI=1S/C6H2Br3I2N/c7-1-4(10)2(8)6(12)3(9)5(1)11/h12H2
InChIKeyDBIRYRIKJHAUQX-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.61
LogP ≤ 54.77
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,4,5,6-tetraiodobenzene-1,2-diamine
CID 5124127
2,4,6-tribromo-5-methylbenzene-1,3-diamine
CID 157076540
2-bromo-3,5-difluoro-4-iodoaniline
CID 106701637
4-bromo-3,5-diiodo-2,6-dimethylpyridine
CID 84819921
1,2-dibromo-3,6-diiodo-4,5-dimethylbenzene
CID 643341
3-bromo-4-chloro-6-iodo-2-methylaniline
CID 168927967
5-bromo-3-iodobenzene-1,2-diamine
CID 99770085
2-bromo-3-iodoaniline
CID 91873763
4,6,7-tribromo-2H-benzotriazol-5-amine
CID 102043777
5-bromo-7-iodo-6-methyl-1,3-benzodioxol-4-amine;5-bromo-6-methyl-1,3-benzodioxol-4-amine;methane
CID 160837822
1,2,4-tribromo-3-iodobenzene
CID 119023408
7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine
CID 165370223

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3,5-diiodoaniline?
The IUPAC name of 2,4,6-tribromo-3,5-diiodoaniline (CID 4172413) is 2,4,6-tribromo-3,5-diiodoaniline.
What is the SMILES notation for 2,4,6-tribromo-3,5-diiodoaniline?
The canonical SMILES for 2,4,6-tribromo-3,5-diiodoaniline is Nc1c(Br)c(I)c(Br)c(I)c1Br.
What is the InChIKey of 2,4,6-tribromo-3,5-diiodoaniline?
The InChIKey is DBIRYRIKJHAUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br3I2N/c7-1-4(10)2(8)6(12)3(9)5(1)11/h12H2.
What are the key properties of 2,4,6-tribromo-3,5-diiodoaniline?
2,4,6-tribromo-3,5-diiodoaniline has a molecular weight of 581.61 g/mol, XLogP of 4.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3,5-diiodoaniline is sourced from PubChem (CID 4172413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).