5-iodo-2-pyridin-4-ylpyridazin-3-one

C9H6IN3O — CID 177208017

IUPAC5-iodo-2-pyridin-4-ylpyridazin-3-one
SMILESO=c1cc(I)cnn1-c1ccncc1
InChIInChI=1S/C9H6IN3O/c10-7-5-9(14)13(12-6-7)8-1-3-11-4-2-8/h1-6H
InChIKeyCNMHQTIPBWWYDF-UHFFFAOYSA-N
MW299.07 g/mol
LogP1.23
Rot. Bonds1

About 5-iodo-2-pyridin-4-ylpyridazin-3-one

5-iodo-2-pyridin-4-ylpyridazin-3-one (PubChem CID 177208017) has the molecular formula C9H6IN3O and a molecular weight of 299.07 g/mol. Its IUPAC name is 5-iodo-2-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-pyridin-4-ylpyridazin-3-one
PubChem CID177208017
Molecular FormulaC9H6IN3O
Molecular Weight299.07 g/mol
Exact Mass298.96
IUPAC Name5-iodo-2-pyridin-4-ylpyridazin-3-one
SMILESO=c1cc(I)cnn1-c1ccncc1
InChIInChI=1S/C9H6IN3O/c10-7-5-9(14)13(12-6-7)8-1-3-11-4-2-8/h1-6H
InChIKeyCNMHQTIPBWWYDF-UHFFFAOYSA-N
XLogP1.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.07
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-2-pyridin-4-ylpyridazin-3-one 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-iodo-2-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 5-iodo-2-pyridin-4-ylpyridazin-3-one (CID 177208017) is 5-iodo-2-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 5-iodo-2-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 5-iodo-2-pyridin-4-ylpyridazin-3-one is O=c1cc(I)cnn1-c1ccncc1.
What is the InChIKey of 5-iodo-2-pyridin-4-ylpyridazin-3-one?
The InChIKey is CNMHQTIPBWWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN3O/c10-7-5-9(14)13(12-6-7)8-1-3-11-4-2-8/h1-6H.
What are the key properties of 5-iodo-2-pyridin-4-ylpyridazin-3-one?
5-iodo-2-pyridin-4-ylpyridazin-3-one has a molecular weight of 299.07 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 177208017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).