3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine

C17H9Cl2F3N2O — CID 70695871

IUPAC3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCOc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H9Cl2F3N2O/c1-25-17-13(8-2-4-9(18)5-3-8)15(16(19)23-24-17)14-11(21)6-10(20)7-12(14)22/h2-7H,1H3
InChIKeyVJMUYLIUFYYECN-UHFFFAOYSA-N
MW385.17 g/mol
LogP5.54
Rot. Bonds3

About 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine

3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 70695871) has the molecular formula C17H9Cl2F3N2O and a molecular weight of 385.17 g/mol. Its IUPAC name is 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID70695871
Molecular FormulaC17H9Cl2F3N2O
Molecular Weight385.17 g/mol
Exact Mass384.00
IUPAC Name3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCOc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H9Cl2F3N2O/c1-25-17-13(8-2-4-9(18)5-3-8)15(16(19)23-24-17)14-11(21)6-10(20)7-12(14)22/h2-7H,1H3
InChIKeyVJMUYLIUFYYECN-UHFFFAOYSA-N
XLogP5.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.17
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine (CID 70695871) is 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine is COc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is VJMUYLIUFYYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N2O/c1-25-17-13(8-2-4-9(18)5-3-8)15(16(19)23-24-17)14-11(21)6-10(20)7-12(14)22/h2-7H,1H3.
What are the key properties of 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine?
3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 385.17 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chlorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 70695871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).