5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one

C9H10ClIN2O2 — CID 70891927

IUPAC5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(I)c(Cl)cnn1C1CCCCO1
InChIInChI=1S/C9H10ClIN2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7H,1-4H2
InChIKeyICLSFGDUSFKFMD-UHFFFAOYSA-N
MW340.55 g/mol
LogP2.20
Rot. Bonds1

About 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one

5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 70891927) has the molecular formula C9H10ClIN2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one
PubChem CID70891927
Molecular FormulaC9H10ClIN2O2
Molecular Weight340.55 g/mol
Exact Mass339.95
IUPAC Name5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(I)c(Cl)cnn1C1CCCCO1
InChIInChI=1S/C9H10ClIN2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7H,1-4H2
InChIKeyICLSFGDUSFKFMD-UHFFFAOYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-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-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one (CID 70891927) is 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one is O=c1c(I)c(Cl)cnn1C1CCCCO1.
What is the InChIKey of 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is ICLSFGDUSFKFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIN2O2/c10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7/h5,7H,1-4H2.
What are the key properties of 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one?
5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 340.55 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 70891927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).