3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine

C15H8ClF3N2S — CID 23658616

IUPAC3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1cccs1
InChIInChI=1S/C15H8ClF3N2S/c1-7-12(11-3-2-4-22-11)14(15(16)21-20-7)13-9(18)5-8(17)6-10(13)19/h2-6H,1H3
InChIKeyJLBPBSPFWIRZAW-UHFFFAOYSA-N
MW340.76 g/mol
LogP5.25
Rot. Bonds2

About 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine

3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 23658616) has the molecular formula C15H8ClF3N2S and a molecular weight of 340.76 g/mol. Its IUPAC name is 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID23658616
Molecular FormulaC15H8ClF3N2S
Molecular Weight340.76 g/mol
Exact Mass340.00
IUPAC Name3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1cccs1
InChIInChI=1S/C15H8ClF3N2S/c1-7-12(11-3-2-4-22-11)14(15(16)21-20-7)13-9(18)5-8(17)6-10(13)19/h2-6H,1H3
InChIKeyJLBPBSPFWIRZAW-UHFFFAOYSA-N
XLogP5.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.76
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)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-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine (CID 23658616) is 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine is Cc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1cccs1.
What is the InChIKey of 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is JLBPBSPFWIRZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2S/c1-7-12(11-3-2-4-22-11)14(15(16)21-20-7)13-9(18)5-8(17)6-10(13)19/h2-6H,1H3.
What are the key properties of 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine?
3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 340.76 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-5-thiophen-2-yl-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 23658616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).