methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate

C16H15F3N2O3 — CID 167198085

IUPACmethyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
SMILESCOC(=O)c1c(Oc2ccc(C)cc2C)nnc(C(F)(F)F)c1C
InChIInChI=1S/C16H15F3N2O3/c1-8-5-6-11(9(2)7-8)24-14-12(15(22)23-4)10(3)13(20-21-14)16(17,18)19/h5-7H,1-4H3
InChIKeyHRPXHWQUHYHYKG-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.00
Rot. Bonds3

About methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate

methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate (PubChem CID 167198085) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
PubChem CID167198085
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Namemethyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
SMILESCOC(=O)c1c(Oc2ccc(C)cc2C)nnc(C(F)(F)F)c1C
InChIInChI=1S/C16H15F3N2O3/c1-8-5-6-11(9(2)7-8)24-14-12(15(22)23-4)10(3)13(20-21-14)16(17,18)19/h5-7H,1-4H3
InChIKeyHRPXHWQUHYHYKG-UHFFFAOYSA-N
XLogP4.00
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-cyano-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 170556634
5-methyl-3-[2-methyl-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 167198499
3-(3-fluoro-2,4-dimethylphenoxy)-5-methyl-N-(3-methylsulfonylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197632
3-(2-chloro-6-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 167198317
3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197611
N-(4-carbamoylphenyl)-3-(4-chloro-2-fluorophenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198910
methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate
CID 169249087
3-[2-fluoro-4-(trifluoromethoxy)phenoxy]-5-methyl-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198003
methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249507
methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 162581639
methyl 3-(4-chloro-2-methoxyphenoxy)-6-iodo-5-methylpyridazine-4-carboxylate
CID 167198513
3-(4-chloro-2-fluorophenoxy)-5-methyl-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198307

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate?
The IUPAC name of methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate (CID 167198085) is methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate.
What is the SMILES notation for methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate?
The canonical SMILES for methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate is COC(=O)c1c(Oc2ccc(C)cc2C)nnc(C(F)(F)F)c1C.
What is the InChIKey of methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate?
The InChIKey is HRPXHWQUHYHYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-8-5-6-11(9(2)7-8)24-14-12(15(22)23-4)10(3)13(20-21-14)16(17,18)19/h5-7H,1-4H3.
What are the key properties of methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate?
methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate has a molecular weight of 340.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate is sourced from PubChem (CID 167198085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).