N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline

C12H8Cl2IN3 — CID 3344562

IUPACN-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline
SMILESClc1cccc(Cl)c1/N=N/Nc1ccccc1I
InChIInChI=1S/C12H8Cl2IN3/c13-8-4-3-5-9(14)12(8)17-18-16-11-7-2-1-6-10(11)15/h1-7H,(H,16,17)
InChIKeyYJNQIRXDEHOMIN-UHFFFAOYSA-N
MW392.03 g/mol
LogP5.71
Rot. Bonds3

About N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline

N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline (PubChem CID 3344562) has the molecular formula C12H8Cl2IN3 and a molecular weight of 392.03 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline
PubChem CID3344562
Molecular FormulaC12H8Cl2IN3
Molecular Weight392.03 g/mol
Exact Mass390.91
IUPAC NameN-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline
SMILESClc1cccc(Cl)c1/N=N/Nc1ccccc1I
InChIInChI=1S/C12H8Cl2IN3/c13-8-4-3-5-9(14)12(8)17-18-16-11-7-2-1-6-10(11)15/h1-7H,(H,16,17)
InChIKeyYJNQIRXDEHOMIN-UHFFFAOYSA-N
XLogP5.71
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.03
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline 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 N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline?
The IUPAC name of N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline (CID 3344562) is N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline is Clc1cccc(Cl)c1/N=N/Nc1ccccc1I.
What is the InChIKey of N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline?
The InChIKey is YJNQIRXDEHOMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2IN3/c13-8-4-3-5-9(14)12(8)17-18-16-11-7-2-1-6-10(11)15/h1-7H,(H,16,17).
What are the key properties of N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline?
N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline has a molecular weight of 392.03 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline is sourced from PubChem (CID 3344562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).