2,3,4,5-tetrabromo-6-hydrazinylaniline

C6H5Br4N3 — CID 144606422

IUPAC2,3,4,5-tetrabromo-6-hydrazinylaniline
SMILESNNc1c(N)c(Br)c(Br)c(Br)c1Br
InChIInChI=1S/C6H5Br4N3/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,11-12H2
InChIKeyCYJOYBGBXCGHMU-UHFFFAOYSA-N
MW438.74 g/mol
LogP3.60
Rot. Bonds1

About 2,3,4,5-tetrabromo-6-hydrazinylaniline

2,3,4,5-tetrabromo-6-hydrazinylaniline (PubChem CID 144606422) has the molecular formula C6H5Br4N3 and a molecular weight of 438.74 g/mol. Its IUPAC name is 2,3,4,5-tetrabromo-6-hydrazinylaniline.

Molecular Properties

Compound Name2,3,4,5-tetrabromo-6-hydrazinylaniline
PubChem CID144606422
Molecular FormulaC6H5Br4N3
Molecular Weight438.74 g/mol
Exact Mass434.72
IUPAC Name2,3,4,5-tetrabromo-6-hydrazinylaniline
SMILESNNc1c(N)c(Br)c(Br)c(Br)c1Br
InChIInChI=1S/C6H5Br4N3/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,11-12H2
InChIKeyCYJOYBGBXCGHMU-UHFFFAOYSA-N
XLogP3.60
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.74
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrabromo-6-hydrazinylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrabromo-6-hydrazinylaniline?
The IUPAC name of 2,3,4,5-tetrabromo-6-hydrazinylaniline (CID 144606422) is 2,3,4,5-tetrabromo-6-hydrazinylaniline.
What is the SMILES notation for 2,3,4,5-tetrabromo-6-hydrazinylaniline?
The canonical SMILES for 2,3,4,5-tetrabromo-6-hydrazinylaniline is NNc1c(N)c(Br)c(Br)c(Br)c1Br.
What is the InChIKey of 2,3,4,5-tetrabromo-6-hydrazinylaniline?
The InChIKey is CYJOYBGBXCGHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br4N3/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,11-12H2.
What are the key properties of 2,3,4,5-tetrabromo-6-hydrazinylaniline?
2,3,4,5-tetrabromo-6-hydrazinylaniline has a molecular weight of 438.74 g/mol, XLogP of 3.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrabromo-6-hydrazinylaniline is sourced from PubChem (CID 144606422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).