4-amino-2,6-diiodobenzoyl chloride

C7H4ClI2NO — CID 88847643

IUPAC4-amino-2,6-diiodobenzoyl chloride
SMILESNc1cc(I)c(C(=O)Cl)c(I)c1
InChIInChI=1S/C7H4ClI2NO/c8-7(12)6-4(9)1-3(11)2-5(6)10/h1-2H,11H2
InChIKeyNQTLJNUVYYXARH-UHFFFAOYSA-N
MW407.38 g/mol
LogP2.86
Rot. Bonds1

About 4-amino-2,6-diiodobenzoyl chloride

4-amino-2,6-diiodobenzoyl chloride (PubChem CID 88847643) has the molecular formula C7H4ClI2NO and a molecular weight of 407.38 g/mol. Its IUPAC name is 4-amino-2,6-diiodobenzoyl chloride.

Molecular Properties

Compound Name4-amino-2,6-diiodobenzoyl chloride
PubChem CID88847643
Molecular FormulaC7H4ClI2NO
Molecular Weight407.38 g/mol
Exact Mass406.81
IUPAC Name4-amino-2,6-diiodobenzoyl chloride
SMILESNc1cc(I)c(C(=O)Cl)c(I)c1
InChIInChI=1S/C7H4ClI2NO/c8-7(12)6-4(9)1-3(11)2-5(6)10/h1-2H,11H2
InChIKeyNQTLJNUVYYXARH-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2,6-diiodobenzoyl chloride 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 4-amino-2,6-diiodobenzoyl chloride?
The IUPAC name of 4-amino-2,6-diiodobenzoyl chloride (CID 88847643) is 4-amino-2,6-diiodobenzoyl chloride.
What is the SMILES notation for 4-amino-2,6-diiodobenzoyl chloride?
The canonical SMILES for 4-amino-2,6-diiodobenzoyl chloride is Nc1cc(I)c(C(=O)Cl)c(I)c1.
What is the InChIKey of 4-amino-2,6-diiodobenzoyl chloride?
The InChIKey is NQTLJNUVYYXARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClI2NO/c8-7(12)6-4(9)1-3(11)2-5(6)10/h1-2H,11H2.
What are the key properties of 4-amino-2,6-diiodobenzoyl chloride?
4-amino-2,6-diiodobenzoyl chloride has a molecular weight of 407.38 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-diiodobenzoyl chloride is sourced from PubChem (CID 88847643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).