5,6-dimethylpyridine-3-diazonium

C7H8N3+ — CID 10012317

IUPAC5,6-dimethylpyridine-3-diazonium
SMILESCc1cc([N+]#N)cnc1C
InChIInChI=1S/C7H8N3/c1-5-3-7(10-8)4-9-6(5)2/h3-4H,1-2H3/q+1
InChIKeyVTBPYNDHHOBXSJ-UHFFFAOYSA-N
MW134.16 g/mol
LogP2.18
Rot. Bonds

About 5,6-dimethylpyridine-3-diazonium

5,6-dimethylpyridine-3-diazonium (PubChem CID 10012317) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is 5,6-dimethylpyridine-3-diazonium.

Molecular Properties

Compound Name5,6-dimethylpyridine-3-diazonium
PubChem CID10012317
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name5,6-dimethylpyridine-3-diazonium
SMILESCc1cc([N+]#N)cnc1C
InChIInChI=1S/C7H8N3/c1-5-3-7(10-8)4-9-6(5)2/h3-4H,1-2H3/q+1
InChIKeyVTBPYNDHHOBXSJ-UHFFFAOYSA-N
XLogP2.18
TPSA41.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-dimethylpyridine-3-diazonium 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 5,6-dimethylpyridine-3-diazonium?
The IUPAC name of 5,6-dimethylpyridine-3-diazonium (CID 10012317) is 5,6-dimethylpyridine-3-diazonium.
What is the SMILES notation for 5,6-dimethylpyridine-3-diazonium?
The canonical SMILES for 5,6-dimethylpyridine-3-diazonium is Cc1cc([N+]#N)cnc1C.
What is the InChIKey of 5,6-dimethylpyridine-3-diazonium?
The InChIKey is VTBPYNDHHOBXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c1-5-3-7(10-8)4-9-6(5)2/h3-4H,1-2H3/q+1.
What are the key properties of 5,6-dimethylpyridine-3-diazonium?
5,6-dimethylpyridine-3-diazonium has a molecular weight of 134.16 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpyridine-3-diazonium is sourced from PubChem (CID 10012317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).