4-cyanobenzenediazonium

C7H4N3+ — CID 10569720

IUPAC4-cyanobenzenediazonium
SMILESN#Cc1ccc([N+]#N)cc1
InChIInChI=1S/C7H4N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4H/q+1
InChIKeyXYFCGHOOAKDJGQ-UHFFFAOYSA-N
MW130.13 g/mol
LogP2.04
Rot. Bonds

About 4-cyanobenzenediazonium

4-cyanobenzenediazonium (PubChem CID 10569720) has the molecular formula C7H4N3+ and a molecular weight of 130.13 g/mol. Its IUPAC name is 4-cyanobenzenediazonium.

Molecular Properties

Compound Name4-cyanobenzenediazonium
PubChem CID10569720
Molecular FormulaC7H4N3+
Molecular Weight130.13 g/mol
Exact Mass130.04
IUPAC Name4-cyanobenzenediazonium
SMILESN#Cc1ccc([N+]#N)cc1
InChIInChI=1S/C7H4N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4H/q+1
InChIKeyXYFCGHOOAKDJGQ-UHFFFAOYSA-N
XLogP2.04
TPSA51.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyanobenzenediazonium?
The IUPAC name of 4-cyanobenzenediazonium (CID 10569720) is 4-cyanobenzenediazonium.
What is the SMILES notation for 4-cyanobenzenediazonium?
The canonical SMILES for 4-cyanobenzenediazonium is N#Cc1ccc([N+]#N)cc1.
What is the InChIKey of 4-cyanobenzenediazonium?
The InChIKey is XYFCGHOOAKDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4H/q+1.
What are the key properties of 4-cyanobenzenediazonium?
4-cyanobenzenediazonium has a molecular weight of 130.13 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyanobenzenediazonium is sourced from PubChem (CID 10569720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).