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

C15H7Cl2F3N2S — CID 118302027

IUPAC3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1csc(Cl)c1
InChIInChI=1S/C15H7Cl2F3N2S/c1-6-12(7-2-11(16)23-5-7)14(15(17)22-21-6)13-9(19)3-8(18)4-10(13)20/h2-5H,1H3
InChIKeyFCLAJHYDFJKEIA-UHFFFAOYSA-N
MW375.20 g/mol
LogP5.90
Rot. Bonds2

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

3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 118302027) has the molecular formula C15H7Cl2F3N2S and a molecular weight of 375.20 g/mol. Its IUPAC name is 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID118302027
Molecular FormulaC15H7Cl2F3N2S
Molecular Weight375.20 g/mol
Exact Mass373.97
IUPAC Name3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1csc(Cl)c1
InChIInChI=1S/C15H7Cl2F3N2S/c1-6-12(7-2-11(16)23-5-7)14(15(17)22-21-6)13-9(19)3-8(18)4-10(13)20/h2-5H,1H3
InChIKeyFCLAJHYDFJKEIA-UHFFFAOYSA-N
XLogP5.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.20
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine (CID 118302027) is 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine is Cc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1csc(Cl)c1.
What is the InChIKey of 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is FCLAJHYDFJKEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F3N2S/c1-6-12(7-2-11(16)23-5-7)14(15(17)22-21-6)13-9(19)3-8(18)4-10(13)20/h2-5H,1H3.
What are the key properties of 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 375.20 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-chlorothiophen-3-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 118302027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).