N-[(2-chlorophenyl)diazenyl]aniline

C12H10ClN3 — CID 102051457

IUPACN-[(2-chlorophenyl)diazenyl]aniline
SMILESClc1ccccc1/N=N/Nc1ccccc1
InChIInChI=1S/C12H10ClN3/c13-11-8-4-5-9-12(11)15-16-14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKeyAQQWZZCXTLIUJX-UHFFFAOYSA-N
MW231.69 g/mol
LogP4.45
Rot. Bonds3

About N-[(2-chlorophenyl)diazenyl]aniline

N-[(2-chlorophenyl)diazenyl]aniline (PubChem CID 102051457) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)diazenyl]aniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)diazenyl]aniline
PubChem CID102051457
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC NameN-[(2-chlorophenyl)diazenyl]aniline
SMILESClc1ccccc1/N=N/Nc1ccccc1
InChIInChI=1S/C12H10ClN3/c13-11-8-4-5-9-12(11)15-16-14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKeyAQQWZZCXTLIUJX-UHFFFAOYSA-N
XLogP4.45
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 54.45
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)diazenyl]aniline?
The IUPAC name of N-[(2-chlorophenyl)diazenyl]aniline (CID 102051457) is N-[(2-chlorophenyl)diazenyl]aniline.
What is the SMILES notation for N-[(2-chlorophenyl)diazenyl]aniline?
The canonical SMILES for N-[(2-chlorophenyl)diazenyl]aniline is Clc1ccccc1/N=N/Nc1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)diazenyl]aniline?
The InChIKey is AQQWZZCXTLIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-11-8-4-5-9-12(11)15-16-14-10-6-2-1-3-7-10/h1-9H,(H,14,15).
What are the key properties of N-[(2-chlorophenyl)diazenyl]aniline?
N-[(2-chlorophenyl)diazenyl]aniline has a molecular weight of 231.69 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)diazenyl]aniline is sourced from PubChem (CID 102051457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).