methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

C19H13F3N2O4 — CID 3772211

IUPACmethyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1Oc1ccccc1
InChIInChI=1S/C19H13F3N2O4/c1-27-18(26)17-15(28-14-8-3-2-4-9-14)11-16(25)24(23-17)13-7-5-6-12(10-13)19(20,21)22/h2-11H,1H3
InChIKeyFYYQTLGPOGZQTG-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.83
Rot. Bonds4

About methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate (PubChem CID 3772211) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
PubChem CID3772211
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC Namemethyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1Oc1ccccc1
InChIInChI=1S/C19H13F3N2O4/c1-27-18(26)17-15(28-14-8-3-2-4-9-14)11-16(25)24(23-17)13-7-5-6-12(10-13)19(20,21)22/h2-11H,1H3
InChIKeyFYYQTLGPOGZQTG-UHFFFAOYSA-N
XLogP3.83
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate (CID 3772211) is methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate is COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1Oc1ccccc1.
What is the InChIKey of methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
The InChIKey is FYYQTLGPOGZQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c1-27-18(26)17-15(28-14-8-3-2-4-9-14)11-16(25)24(23-17)13-7-5-6-12(10-13)19(20,21)22/h2-11H,1H3.
What are the key properties of methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate?
methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate has a molecular weight of 390.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate is sourced from PubChem (CID 3772211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).