methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate

C15H9ClF5NO3 — CID 169249507

IUPACmethyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C(F)(F)F)nc1Oc1ccc(F)c(F)c1C
InChIInChI=1S/C15H9ClF5NO3/c1-6-10(4-3-9(17)11(6)18)25-13-7(14(23)24-2)5-8(16)12(22-13)15(19,20)21/h3-5H,1-2H3
InChIKeyZSDFRBZETSRTKR-UHFFFAOYSA-N
MW381.68 g/mol
LogP4.92
Rot. Bonds3

About methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 169249507) has the molecular formula C15H9ClF5NO3 and a molecular weight of 381.68 g/mol. Its IUPAC name is methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID169249507
Molecular FormulaC15H9ClF5NO3
Molecular Weight381.68 g/mol
Exact Mass381.02
IUPAC Namemethyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C(F)(F)F)nc1Oc1ccc(F)c(F)c1C
InChIInChI=1S/C15H9ClF5NO3/c1-6-10(4-3-9(17)11(6)18)25-13-7(14(23)24-2)5-8(16)12(22-13)15(19,20)21/h3-5H,1-2H3
InChIKeyZSDFRBZETSRTKR-UHFFFAOYSA-N
XLogP4.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 169249254
[5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 169249652
3-chloro-6-(3,4-difluoro-2-methylphenoxy)-2-(trifluoromethyl)pyridine
CID 175955629
tert-butyl N-[2-(3,4-difluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169249145
methyl 3-bromo-2-(3,4-difluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 169249301
ethyl 2-[2-(3,4-difluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5-methoxy-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 169250850
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189
methyl 6-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134635581
methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134674308
methyl 3-(2,4-dimethylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxylate
CID 167198085
5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 177358502
methyl 3-chloro-2-fluoro-4-(trifluoromethyl)benzoate
CID 134646250

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 169249507) is methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1cc(Cl)c(C(F)(F)F)nc1Oc1ccc(F)c(F)c1C.
What is the InChIKey of methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is ZSDFRBZETSRTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF5NO3/c1-6-10(4-3-9(17)11(6)18)25-13-7(14(23)24-2)5-8(16)12(22-13)15(19,20)21/h3-5H,1-2H3.
What are the key properties of methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 381.68 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(3,4-difluoro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 169249507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).