2-[(4-nitrophenyl)diazenyl]aniline

C12H10N4O2 — CID 18955864

IUPAC2-[(4-nitrophenyl)diazenyl]aniline
SMILESNc1ccccc1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O2/c13-11-3-1-2-4-12(11)15-14-9-5-7-10(8-6-9)16(17)18/h1-8H,13H2/b15-14+
InChIKeyUDUIXTLELNXEBY-CCEZHUSRSA-N
MW242.24 g/mol
LogP3.59
Rot. Bonds3

About 2-[(4-nitrophenyl)diazenyl]aniline

2-[(4-nitrophenyl)diazenyl]aniline (PubChem CID 18955864) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound Name2-[(4-nitrophenyl)diazenyl]aniline
PubChem CID18955864
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-[(4-nitrophenyl)diazenyl]aniline
SMILESNc1ccccc1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H10N4O2/c13-11-3-1-2-4-12(11)15-14-9-5-7-10(8-6-9)16(17)18/h1-8H,13H2/b15-14+
InChIKeyUDUIXTLELNXEBY-CCEZHUSRSA-N
XLogP3.59
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrophenyl)-phenyldiazene
CID 17222
7-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
CID 101304417
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
1H-indol-3-yl-(4-nitrophenyl)diazene
CID 135447734
methyl-(4-nitrophenyl)diazene
CID 20760343
2-[(4-nitro-1,3-thiazol-2-yl)diazenyl]aniline
CID 68555912
4-[(4-amino-3-nitrophenyl)diazenyl]-2-nitroaniline
CID 165358995
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
1-[(2,2-diphenylhydrazinyl)diazenyl]-4-nitrobenzene
CID 70479736
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
2-amino-3-[(4-nitrophenyl)diazenyl]-1H-quinolin-4-one
CID 135509420
2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium
CID 59112489

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)diazenyl]aniline?
The IUPAC name of 2-[(4-nitrophenyl)diazenyl]aniline (CID 18955864) is 2-[(4-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for 2-[(4-nitrophenyl)diazenyl]aniline?
The canonical SMILES for 2-[(4-nitrophenyl)diazenyl]aniline is Nc1ccccc1/N=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)diazenyl]aniline?
The InChIKey is UDUIXTLELNXEBY-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-11-3-1-2-4-12(11)15-14-9-5-7-10(8-6-9)16(17)18/h1-8H,13H2/b15-14+.
What are the key properties of 2-[(4-nitrophenyl)diazenyl]aniline?
2-[(4-nitrophenyl)diazenyl]aniline has a molecular weight of 242.24 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 18955864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).