pyridine-2,5-diimine

C5H5N3 — CID 54293695

IUPACpyridine-2,5-diimine
SMILES[H]/N=C1/C=C/C(=N\[H])N=C1
InChIInChI=1S/C5H5N3/c6-4-1-2-5(7)8-3-4/h1-3,6-7H/b6-4-,7-5+
InChIKeyRCHUBIDQIZAURX-XGXWUAJZSA-N
MW107.12 g/mol
LogP0.62
Rot. Bonds

About pyridine-2,5-diimine

pyridine-2,5-diimine (PubChem CID 54293695) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is pyridine-2,5-diimine.

Molecular Properties

Compound Namepyridine-2,5-diimine
PubChem CID54293695
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Namepyridine-2,5-diimine
SMILES[H]/N=C1/C=C/C(=N\[H])N=C1
InChIInChI=1S/C5H5N3/c6-4-1-2-5(7)8-3-4/h1-3,6-7H/b6-4-,7-5+
InChIKeyRCHUBIDQIZAURX-XGXWUAJZSA-N
XLogP0.62
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze pyridine-2,5-diimine 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 pyridine-2,5-diimine?
The IUPAC name of pyridine-2,5-diimine (CID 54293695) is pyridine-2,5-diimine.
What is the SMILES notation for pyridine-2,5-diimine?
The canonical SMILES for pyridine-2,5-diimine is [H]/N=C1/C=C/C(=N\[H])N=C1.
What is the InChIKey of pyridine-2,5-diimine?
The InChIKey is RCHUBIDQIZAURX-XGXWUAJZSA-N. The full InChI is InChI=1S/C5H5N3/c6-4-1-2-5(7)8-3-4/h1-3,6-7H/b6-4-,7-5+.
What are the key properties of pyridine-2,5-diimine?
pyridine-2,5-diimine has a molecular weight of 107.12 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,5-diimine is sourced from PubChem (CID 54293695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).