4-iodopyridine-2,3-diimine

C5H4IN3 — CID 123313142

IUPAC4-iodopyridine-2,3-diimine
SMILES[H]/N=C1\N=CC=C(I)\C1=N\[H]
InChIInChI=1S/C5H4IN3/c6-3-1-2-9-5(8)4(3)7/h1-2,7-8H/b7-4-,8-5-
InChIKeyOWUQPFOAWXKKEQ-IUNAMMOKSA-N
MW233.01 g/mol
LogP1.39
Rot. Bonds

About 4-iodopyridine-2,3-diimine

4-iodopyridine-2,3-diimine (PubChem CID 123313142) has the molecular formula C5H4IN3 and a molecular weight of 233.01 g/mol. Its IUPAC name is 4-iodopyridine-2,3-diimine.

Molecular Properties

Compound Name4-iodopyridine-2,3-diimine
PubChem CID123313142
Molecular FormulaC5H4IN3
Molecular Weight233.01 g/mol
Exact Mass232.94
IUPAC Name4-iodopyridine-2,3-diimine
SMILES[H]/N=C1\N=CC=C(I)\C1=N\[H]
InChIInChI=1S/C5H4IN3/c6-3-1-2-9-5(8)4(3)7/h1-2,7-8H/b7-4-,8-5-
InChIKeyOWUQPFOAWXKKEQ-IUNAMMOKSA-N
XLogP1.39
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodopyridine-2,3-diimine 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

Bis(imino)pyridine
CID 21972427
Iron(2+);pyridine-2,3-diimine
CID 22134474
Cobalt(2+);pyridine-2,3-diimine
CID 22244856
Pyridine-2,5-diimine
CID 54293695
Iron;pyridine-2,3-diimine
CID 66847494
Cobalt;pyridine-2,3-diimine
CID 69583641
iron;4H-pyridin-4-ide-2,3-diimine
CID 87774812
4-iodo-3H-pyridin-6-imine
CID 135291601
Pyridine-2,3-diimine;vanadium
CID 157242379
Pyridine-2,3-diimine;rhodium
CID 159394003
Cobalt;iron;pyridine-2,3-diimine
CID 159612458
Chromium;pyridine-2,3-diimine
CID 175123390

Frequently Asked Questions

What is the IUPAC name of 4-iodopyridine-2,3-diimine?
The IUPAC name of 4-iodopyridine-2,3-diimine (CID 123313142) is 4-iodopyridine-2,3-diimine.
What is the SMILES notation for 4-iodopyridine-2,3-diimine?
The canonical SMILES for 4-iodopyridine-2,3-diimine is [H]/N=C1\N=CC=C(I)\C1=N\[H].
What is the InChIKey of 4-iodopyridine-2,3-diimine?
The InChIKey is OWUQPFOAWXKKEQ-IUNAMMOKSA-N. The full InChI is InChI=1S/C5H4IN3/c6-3-1-2-9-5(8)4(3)7/h1-2,7-8H/b7-4-,8-5-.
What are the key properties of 4-iodopyridine-2,3-diimine?
4-iodopyridine-2,3-diimine has a molecular weight of 233.01 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyridine-2,3-diimine is sourced from PubChem (CID 123313142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).