3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine

C15H9Cl2FN2S — CID 87694903

IUPAC3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine
SMILESCc1nnc(Cl)c(-c2ccc(F)cc2Cl)c1-c1cccs1
InChIInChI=1S/C15H9Cl2FN2S/c1-8-13(12-3-2-6-21-12)14(15(17)20-19-8)10-5-4-9(18)7-11(10)16/h2-7H,1H3
InChIKeyHSNPCYFJMWMTSB-UHFFFAOYSA-N
MW339.22 g/mol
LogP5.63
Rot. Bonds2

About 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine

3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine (PubChem CID 87694903) has the molecular formula C15H9Cl2FN2S and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine
PubChem CID87694903
Molecular FormulaC15H9Cl2FN2S
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine
SMILESCc1nnc(Cl)c(-c2ccc(F)cc2Cl)c1-c1cccs1
InChIInChI=1S/C15H9Cl2FN2S/c1-8-13(12-3-2-6-21-12)14(15(17)20-19-8)10-5-4-9(18)7-11(10)16/h2-7H,1H3
InChIKeyHSNPCYFJMWMTSB-UHFFFAOYSA-N
XLogP5.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine?
The IUPAC name of 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine (CID 87694903) is 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine?
The canonical SMILES for 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine is Cc1nnc(Cl)c(-c2ccc(F)cc2Cl)c1-c1cccs1.
What is the InChIKey of 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine?
The InChIKey is HSNPCYFJMWMTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2S/c1-8-13(12-3-2-6-21-12)14(15(17)20-19-8)10-5-4-9(18)7-11(10)16/h2-7H,1H3.
What are the key properties of 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine?
3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine has a molecular weight of 339.22 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-4-fluorophenyl)-6-methyl-5-thiophen-2-ylpyridazine is sourced from PubChem (CID 87694903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).