4,5-dichloro-2-pyridin-3-ylpyridazin-3-one

C9H5Cl2N3O — CID 130501966

IUPAC4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1cccnc1
InChIInChI=1S/C9H5Cl2N3O/c10-7-5-13-14(9(15)8(7)11)6-2-1-3-12-4-6/h1-5H
InChIKeyWJTWTKHMMHHBOM-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.93
Rot. Bonds1

About 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one

4,5-dichloro-2-pyridin-3-ylpyridazin-3-one (PubChem CID 130501966) has the molecular formula C9H5Cl2N3O and a molecular weight of 242.07 g/mol. Its IUPAC name is 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
PubChem CID130501966
Molecular FormulaC9H5Cl2N3O
Molecular Weight242.07 g/mol
Exact Mass240.98
IUPAC Name4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1cccnc1
InChIInChI=1S/C9H5Cl2N3O/c10-7-5-13-14(9(15)8(7)11)6-2-1-3-12-4-6/h1-5H
InChIKeyWJTWTKHMMHHBOM-UHFFFAOYSA-N
XLogP1.93
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-2-pyridin-3-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 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one (CID 130501966) is 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1cccnc1.
What is the InChIKey of 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one?
The InChIKey is WJTWTKHMMHHBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O/c10-7-5-13-14(9(15)8(7)11)6-2-1-3-12-4-6/h1-5H.
What are the key properties of 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one?
4,5-dichloro-2-pyridin-3-ylpyridazin-3-one has a molecular weight of 242.07 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 130501966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).