3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine

C12H9Cl2FN2O — CID 55256506

IUPAC3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C12H9Cl2FN2O/c1-6-7(2)12(17-16-11(6)14)18-8-3-4-10(15)9(13)5-8/h3-5H,1-2H3
InChIKeyAXNMYNLVMUPUGJ-UHFFFAOYSA-N
MW287.12 g/mol
LogP4.33
Rot. Bonds2

About 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine

3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine (PubChem CID 55256506) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine
PubChem CID55256506
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccc(F)c(Cl)c2)c1C
InChIInChI=1S/C12H9Cl2FN2O/c1-6-7(2)12(17-16-11(6)14)18-8-3-4-10(15)9(13)5-8/h3-5H,1-2H3
InChIKeyAXNMYNLVMUPUGJ-UHFFFAOYSA-N
XLogP4.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine 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-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine (CID 55256506) is 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine is Cc1c(Cl)nnc(Oc2ccc(F)c(Cl)c2)c1C.
What is the InChIKey of 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine?
The InChIKey is AXNMYNLVMUPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-6-7(2)12(17-16-11(6)14)18-8-3-4-10(15)9(13)5-8/h3-5H,1-2H3.
What are the key properties of 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine?
3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine has a molecular weight of 287.12 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-chloro-4-fluorophenoxy)-4,5-dimethylpyridazine is sourced from PubChem (CID 55256506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).