ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate

C11H11F4NO4 — CID 134681708

IUPACethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CF)c(OC(F)(F)F)cc1OC
InChIInChI=1S/C11H11F4NO4/c1-3-19-10(17)9-8(18-2)4-7(6(5-12)16-9)20-11(13,14)15/h4H,3,5H2,1-2H3
InChIKeyAFEUJVMLTAAVIY-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.63
Rot. Bonds5

About ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134681708) has the molecular formula C11H11F4NO4 and a molecular weight of 297.20 g/mol. Its IUPAC name is ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134681708
Molecular FormulaC11H11F4NO4
Molecular Weight297.20 g/mol
Exact Mass297.06
IUPAC Nameethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CF)c(OC(F)(F)F)cc1OC
InChIInChI=1S/C11H11F4NO4/c1-3-19-10(17)9-8(18-2)4-7(6(5-12)16-9)20-11(13,14)15/h4H,3,5H2,1-2H3
InChIKeyAFEUJVMLTAAVIY-UHFFFAOYSA-N
XLogP2.63
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
CID 134682047
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
ethyl 4-amino-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087422
methyl 6-(fluoromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661648
2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134669983
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087391
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
ethyl 3-hydroxy-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666742
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134662339

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate (CID 134681708) is ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1nc(CF)c(OC(F)(F)F)cc1OC.
What is the InChIKey of ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is AFEUJVMLTAAVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO4/c1-3-19-10(17)9-8(18-2)4-7(6(5-12)16-9)20-11(13,14)15/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 297.20 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134681708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).