3-chloro-6-(4-iodopyrazol-1-yl)pyridazine

C7H4ClIN4 — CID 26369846

IUPAC3-chloro-6-(4-iodopyrazol-1-yl)pyridazine
SMILESClc1ccc(-n2cc(I)cn2)nn1
InChIInChI=1S/C7H4ClIN4/c8-6-1-2-7(12-11-6)13-4-5(9)3-10-13/h1-4H
InChIKeyITGAMZMKSFYVNO-UHFFFAOYSA-N
MW306.49 g/mol
LogP1.92
Rot. Bonds1

About 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine

3-chloro-6-(4-iodopyrazol-1-yl)pyridazine (PubChem CID 26369846) has the molecular formula C7H4ClIN4 and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-iodopyrazol-1-yl)pyridazine
PubChem CID26369846
Molecular FormulaC7H4ClIN4
Molecular Weight306.49 g/mol
Exact Mass305.92
IUPAC Name3-chloro-6-(4-iodopyrazol-1-yl)pyridazine
SMILESClc1ccc(-n2cc(I)cn2)nn1
InChIInChI=1S/C7H4ClIN4/c8-6-1-2-7(12-11-6)13-4-5(9)3-10-13/h1-4H
InChIKeyITGAMZMKSFYVNO-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine 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 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine?
The IUPAC name of 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine (CID 26369846) is 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine is Clc1ccc(-n2cc(I)cn2)nn1.
What is the InChIKey of 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine?
The InChIKey is ITGAMZMKSFYVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN4/c8-6-1-2-7(12-11-6)13-4-5(9)3-10-13/h1-4H.
What are the key properties of 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine?
3-chloro-6-(4-iodopyrazol-1-yl)pyridazine has a molecular weight of 306.49 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-iodopyrazol-1-yl)pyridazine is sourced from PubChem (CID 26369846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).