3-[(3-nitrophenyl)diazenyl]aniline

C12H10N4O2 — CID 54370732

IUPAC3-[(3-nitrophenyl)diazenyl]aniline
SMILESNc1cccc(/N=N/c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H10N4O2/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(8-11)16(17)18/h1-8H,13H2/b15-14+
InChIKeyUTAATEFQLRIXBK-CCEZHUSRSA-N
MW242.24 g/mol
LogP3.59
Rot. Bonds3

About 3-[(3-nitrophenyl)diazenyl]aniline

3-[(3-nitrophenyl)diazenyl]aniline (PubChem CID 54370732) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-[(3-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound Name3-[(3-nitrophenyl)diazenyl]aniline
PubChem CID54370732
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name3-[(3-nitrophenyl)diazenyl]aniline
SMILESNc1cccc(/N=N/c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H10N4O2/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(8-11)16(17)18/h1-8H,13H2/b15-14+
InChIKeyUTAATEFQLRIXBK-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'}

Analyze 3-[(3-nitrophenyl)diazenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3-nitrophenyl)diazene
CID 10858607
cyclopropane;3-nitroaniline
CID 175468087
1,3-dinitrobenzene;3-methylaniline
CID 158923372
2-(3-nitrophenyl)guanidine
CID 15667866
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
4-[(3-nitrophenyl)diazenyl]-6-phenoxybenzene-1,3-diamine
CID 163625810
N-methyl-3-nitro-N-[(3-nitrophenyl)diazenyl]aniline
CID 4008195
2-(3-aminophenyl)acetonitrile;2-(3-nitrophenyl)acetonitrile
CID 158393114
3-nitroaniline;(3-nitrophenyl)azanium;perchlorate
CID 139070143
3-(aminomethyl)-6-[(3-nitrophenyl)diazenyl]benzene-1,2-dicarbonitrile
CID 139626752
1-azido-3-nitrobenzene;hydrofluoride
CID 161250805
(Z)-3-(3-nitrophenyl)iminoprop-1-en-1-amine
CID 154687570

Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitrophenyl)diazenyl]aniline?
The IUPAC name of 3-[(3-nitrophenyl)diazenyl]aniline (CID 54370732) is 3-[(3-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for 3-[(3-nitrophenyl)diazenyl]aniline?
The canonical SMILES for 3-[(3-nitrophenyl)diazenyl]aniline is Nc1cccc(/N=N/c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-[(3-nitrophenyl)diazenyl]aniline?
The InChIKey is UTAATEFQLRIXBK-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-9-3-1-4-10(7-9)14-15-11-5-2-6-12(8-11)16(17)18/h1-8H,13H2/b15-14+.
What are the key properties of 3-[(3-nitrophenyl)diazenyl]aniline?
3-[(3-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 3-[(3-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 54370732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).