4-(naphthalen-2-yldiazenyl)-2-nitrophenol

C16H11N3O3 — CID 581679

IUPAC4-(naphthalen-2-yldiazenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/N=N/c2ccc3ccccc3c2)ccc1O
InChIInChI=1S/C16H11N3O3/c20-16-8-7-14(10-15(16)19(21)22)18-17-13-6-5-11-3-1-2-4-12(11)9-13/h1-10,20H/b18-17+
InChIKeyZDSQRPKIPXBMII-ISLYRVAYSA-N
MW293.28 g/mol
LogP4.87
Rot. Bonds3

About 4-(naphthalen-2-yldiazenyl)-2-nitrophenol

4-(naphthalen-2-yldiazenyl)-2-nitrophenol (PubChem CID 581679) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-(naphthalen-2-yldiazenyl)-2-nitrophenol.

Molecular Properties

Compound Name4-(naphthalen-2-yldiazenyl)-2-nitrophenol
PubChem CID581679
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name4-(naphthalen-2-yldiazenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/N=N/c2ccc3ccccc3c2)ccc1O
InChIInChI=1S/C16H11N3O3/c20-16-8-7-14(10-15(16)19(21)22)18-17-13-6-5-11-3-1-2-4-12(11)9-13/h1-10,20H/b18-17+
InChIKeyZDSQRPKIPXBMII-ISLYRVAYSA-N
XLogP4.87
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 4-(naphthalen-2-yldiazenyl)-2-nitrophenol 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 4-(naphthalen-2-yldiazenyl)-2-nitrophenol?
The IUPAC name of 4-(naphthalen-2-yldiazenyl)-2-nitrophenol (CID 581679) is 4-(naphthalen-2-yldiazenyl)-2-nitrophenol.
What is the SMILES notation for 4-(naphthalen-2-yldiazenyl)-2-nitrophenol?
The canonical SMILES for 4-(naphthalen-2-yldiazenyl)-2-nitrophenol is O=[N+]([O-])c1cc(/N=N/c2ccc3ccccc3c2)ccc1O.
What is the InChIKey of 4-(naphthalen-2-yldiazenyl)-2-nitrophenol?
The InChIKey is ZDSQRPKIPXBMII-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16-8-7-14(10-15(16)19(21)22)18-17-13-6-5-11-3-1-2-4-12(11)9-13/h1-10,20H/b18-17+.
What are the key properties of 4-(naphthalen-2-yldiazenyl)-2-nitrophenol?
4-(naphthalen-2-yldiazenyl)-2-nitrophenol has a molecular weight of 293.28 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-yldiazenyl)-2-nitrophenol is sourced from PubChem (CID 581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).