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

C11H11F4NO4 — CID 134665386

IUPACethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(CF)c(OC)nc1OC(F)(F)F
InChIInChI=1S/C11H11F4NO4/c1-3-19-10(17)7-4-6(5-12)8(18-2)16-9(7)20-11(13,14)15/h4H,3,5H2,1-2H3
InChIKeyZLHLDDJUOVTUFD-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.63
Rot. Bonds5

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

ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134665386) has the molecular formula C11H11F4NO4 and a molecular weight of 297.20 g/mol. Its IUPAC name is ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134665386
Molecular FormulaC11H11F4NO4
Molecular Weight297.20 g/mol
Exact Mass297.06
IUPAC Nameethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(CF)c(OC)nc1OC(F)(F)F
InChIInChI=1S/C11H11F4NO4/c1-3-19-10(17)7-4-6(5-12)8(18-2)16-9(7)20-11(13,14)15/h4H,3,5H2,1-2H3
InChIKeyZLHLDDJUOVTUFD-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate (CID 134665386) is ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(CF)c(OC)nc1OC(F)(F)F.
What is the InChIKey of ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is ZLHLDDJUOVTUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO4/c1-3-19-10(17)7-4-6(5-12)8(18-2)16-9(7)20-11(13,14)15/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-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 5-(fluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134665386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).