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

C14H10F4N2O4 — CID 167198498

IUPACmethyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)nnc1Oc1ccc(F)cc1OC
InChIInChI=1S/C14H10F4N2O4/c1-22-10-5-7(15)3-4-9(10)24-12-8(13(21)23-2)6-11(19-20-12)14(16,17)18/h3-6H,1-2H3
InChIKeyXVUOVPCDECIIKP-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.22
Rot. Bonds4

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

methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate (PubChem CID 167198498) has the molecular formula C14H10F4N2O4 and a molecular weight of 346.24 g/mol. Its IUPAC name is methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate
PubChem CID167198498
Molecular FormulaC14H10F4N2O4
Molecular Weight346.24 g/mol
Exact Mass346.06
IUPAC Namemethyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)nnc1Oc1ccc(F)cc1OC
InChIInChI=1S/C14H10F4N2O4/c1-22-10-5-7(15)3-4-9(10)24-12-8(13(21)23-2)6-11(19-20-12)14(16,17)18/h3-6H,1-2H3
InChIKeyXVUOVPCDECIIKP-UHFFFAOYSA-N
XLogP3.22
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197863
3-(4-fluoro-2-methoxyphenoxy)-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197861
3-(4-fluoro-2-methoxyphenoxy)-N-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198466
3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)-N-(1,1,3-trioxo-1,2-benzothiazol-6-yl)pyridazine-4-carboxamide
CID 167199275
methyl 3-(2,4-difluorophenoxy)-6-iodopyridazine-4-carboxylate
CID 167198805
3-(4-methoxy-2-methylphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 167199374
3-(4-fluoro-2-methylphenoxy)-N-(1-oxidopyridin-1-ium-3-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199270
3-(4-fluoro-2-methylphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199266
3-methoxy-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 117127039
3-(4-fluoro-2-methylphenoxy)-N-[4-methyl-3-(methylsulfonimidoyl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198299
3-(4-fluoro-2-hydroxyphenoxy)-N-(3-sulfamoylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198832
N-[3-(N,S-dimethylsulfonimidoyl)phenyl]-3-(4-fluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 170650029

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate?
The IUPAC name of methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate (CID 167198498) is methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate?
The canonical SMILES for methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate is COC(=O)c1cc(C(F)(F)F)nnc1Oc1ccc(F)cc1OC.
What is the InChIKey of methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate?
The InChIKey is XVUOVPCDECIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O4/c1-22-10-5-7(15)3-4-9(10)24-12-8(13(21)23-2)6-11(19-20-12)14(16,17)18/h3-6H,1-2H3.
What are the key properties of methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate?
methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate has a molecular weight of 346.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluoro-2-methoxyphenoxy)-6-(trifluoromethyl)pyridazine-4-carboxylate is sourced from PubChem (CID 167198498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).