methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate

C15H10F3N3O4 — CID 167197849

IUPACmethyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)nnc1Oc1ccc(C#N)cc1OC
InChIInChI=1S/C15H10F3N3O4/c1-23-11-5-8(7-19)3-4-10(11)25-13-9(14(22)24-2)6-12(20-21-13)15(16,17)18/h3-6H,1-2H3
InChIKeyYOLSLVGONHRNFU-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.95
Rot. Bonds4

About methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate

methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate (PubChem CID 167197849) has the molecular formula C15H10F3N3O4 and a molecular weight of 353.26 g/mol. Its IUPAC name is methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate
PubChem CID167197849
Molecular FormulaC15H10F3N3O4
Molecular Weight353.26 g/mol
Exact Mass353.06
IUPAC Namemethyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)nnc1Oc1ccc(C#N)cc1OC
InChIInChI=1S/C15H10F3N3O4/c1-23-11-5-8(7-19)3-4-10(11)25-13-9(14(22)24-2)6-12(20-21-13)15(16,17)18/h3-6H,1-2H3
InChIKeyYOLSLVGONHRNFU-UHFFFAOYSA-N
XLogP2.95
TPSA94.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate?
The IUPAC name of methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate (CID 167197849) is methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate?
The canonical SMILES for methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate is COC(=O)c1cc(C(F)(F)F)nnc1Oc1ccc(C#N)cc1OC.
What is the InChIKey of methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate?
The InChIKey is YOLSLVGONHRNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O4/c1-23-11-5-8(7-19)3-4-10(11)25-13-9(14(22)24-2)6-12(20-21-13)15(16,17)18/h3-6H,1-2H3.
What are the key properties of methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate?
methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate has a molecular weight of 353.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-cyano-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate is sourced from PubChem (CID 167197849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).