4-[(2,4-dichlorophenyl)diazenyl]aniline

C12H9Cl2N3 — CID 23338727

IUPAC4-[(2,4-dichlorophenyl)diazenyl]aniline
SMILESNc1ccc(/N=N/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl2N3/c13-8-1-6-12(11(14)7-8)17-16-10-4-2-9(15)3-5-10/h1-7H,15H2/b17-16+
InChIKeyOOPRIQZZUWTVFC-WUKNDPDISA-N
MW266.13 g/mol
LogP4.99
Rot. Bonds2

About 4-[(2,4-dichlorophenyl)diazenyl]aniline

4-[(2,4-dichlorophenyl)diazenyl]aniline (PubChem CID 23338727) has the molecular formula C12H9Cl2N3 and a molecular weight of 266.13 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)diazenyl]aniline.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)diazenyl]aniline
PubChem CID23338727
Molecular FormulaC12H9Cl2N3
Molecular Weight266.13 g/mol
Exact Mass265.02
IUPAC Name4-[(2,4-dichlorophenyl)diazenyl]aniline
SMILESNc1ccc(/N=N/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl2N3/c13-8-1-6-12(11(14)7-8)17-16-10-4-2-9(15)3-5-10/h1-7H,15H2/b17-16+
InChIKeyOOPRIQZZUWTVFC-WUKNDPDISA-N
XLogP4.99
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)diazenyl]aniline?
The IUPAC name of 4-[(2,4-dichlorophenyl)diazenyl]aniline (CID 23338727) is 4-[(2,4-dichlorophenyl)diazenyl]aniline.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)diazenyl]aniline?
The canonical SMILES for 4-[(2,4-dichlorophenyl)diazenyl]aniline is Nc1ccc(/N=N/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)diazenyl]aniline?
The InChIKey is OOPRIQZZUWTVFC-WUKNDPDISA-N. The full InChI is InChI=1S/C12H9Cl2N3/c13-8-1-6-12(11(14)7-8)17-16-10-4-2-9(15)3-5-10/h1-7H,15H2/b17-16+.
What are the key properties of 4-[(2,4-dichlorophenyl)diazenyl]aniline?
4-[(2,4-dichlorophenyl)diazenyl]aniline has a molecular weight of 266.13 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)diazenyl]aniline is sourced from PubChem (CID 23338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).