3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine

C10H4Cl2F3N3 — CID 168867581

IUPAC3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)nn2)cnc1Cl
InChIInChI=1S/C10H4Cl2F3N3/c11-8-2-1-7(17-18-8)5-3-6(10(13,14)15)9(12)16-4-5/h1-4H
InChIKeyJAGYZJYXUYRSEU-UHFFFAOYSA-N
MW294.06 g/mol
LogP3.86
Rot. Bonds1

About 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine

3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine (PubChem CID 168867581) has the molecular formula C10H4Cl2F3N3 and a molecular weight of 294.06 g/mol. Its IUPAC name is 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine
PubChem CID168867581
Molecular FormulaC10H4Cl2F3N3
Molecular Weight294.06 g/mol
Exact Mass292.97
IUPAC Name3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)nn2)cnc1Cl
InChIInChI=1S/C10H4Cl2F3N3/c11-8-2-1-7(17-18-8)5-3-6(10(13,14)15)9(12)16-4-5/h1-4H
InChIKeyJAGYZJYXUYRSEU-UHFFFAOYSA-N
XLogP3.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.06
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]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-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine?
The IUPAC name of 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine (CID 168867581) is 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine?
The canonical SMILES for 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine is FC(F)(F)c1cc(-c2ccc(Cl)nn2)cnc1Cl.
What is the InChIKey of 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine?
The InChIKey is JAGYZJYXUYRSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3N3/c11-8-2-1-7(17-18-8)5-3-6(10(13,14)15)9(12)16-4-5/h1-4H.
What are the key properties of 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine?
3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine has a molecular weight of 294.06 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine is sourced from PubChem (CID 168867581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).