3-nitrobenzenediazonium

C6H4N3O2+ — CID 10883106

IUPAC3-nitrobenzenediazonium
SMILESN#[N+]c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N3O2/c7-8-5-2-1-3-6(4-5)9(10)11/h1-4H/q+1
InChIKeyPTZGBPAXEKEBSB-UHFFFAOYSA-N
MW150.12 g/mol
LogP2.08
Rot. Bonds1

About 3-nitrobenzenediazonium

3-nitrobenzenediazonium (PubChem CID 10883106) has the molecular formula C6H4N3O2+ and a molecular weight of 150.12 g/mol. Its IUPAC name is 3-nitrobenzenediazonium.

Molecular Properties

Compound Name3-nitrobenzenediazonium
PubChem CID10883106
Molecular FormulaC6H4N3O2+
Molecular Weight150.12 g/mol
Exact Mass150.03
IUPAC Name3-nitrobenzenediazonium
SMILESN#[N+]c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N3O2/c7-8-5-2-1-3-6(4-5)9(10)11/h1-4H/q+1
InChIKeyPTZGBPAXEKEBSB-UHFFFAOYSA-N
XLogP2.08
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-nitrobenzenediazonium 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

1-isocyano-3-nitrobenzene;dihydrochloride
CID 173434944
cyclopropane;3-nitroaniline
CID 175468087
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
CID 174796132
CID 174796132
(3-nitrophenyl)phosphane
CID 101369545
1-methyl-3-nitrobenzene
CID 7422
1,3-dinitrobenzene;3-methylaniline
CID 158923372
3-[(3-nitrophenyl)diazenyl]aniline
CID 54370732
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-methyl-3-nitrobenzene chloride
CID 20509973
bis(3-nitrophenyl)diazene
CID 10858607

Frequently Asked Questions

What is the IUPAC name of 3-nitrobenzenediazonium?
The IUPAC name of 3-nitrobenzenediazonium (CID 10883106) is 3-nitrobenzenediazonium.
What is the SMILES notation for 3-nitrobenzenediazonium?
The canonical SMILES for 3-nitrobenzenediazonium is N#[N+]c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitrobenzenediazonium?
The InChIKey is PTZGBPAXEKEBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3O2/c7-8-5-2-1-3-6(4-5)9(10)11/h1-4H/q+1.
What are the key properties of 3-nitrobenzenediazonium?
3-nitrobenzenediazonium has a molecular weight of 150.12 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrobenzenediazonium is sourced from PubChem (CID 10883106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).