ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate

C11H11F4NO4 — CID 134682047

IUPACethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)nc(CF)c1OC
InChIInChI=1S/C11H11F4NO4/c1-3-19-10(17)6-4-8(20-11(13,14)15)16-7(5-12)9(6)18-2/h4H,3,5H2,1-2H3
InChIKeyDCMZJIOOVASSGA-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate

ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate (PubChem CID 134682047) has the molecular formula C11H11F4NO4 and a molecular weight of 297.20 g/mol. Its IUPAC name is ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
PubChem CID134682047
Molecular FormulaC11H11F4NO4
Molecular Weight297.20 g/mol
Exact Mass297.06
IUPAC Nameethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)nc(CF)c1OC
InChIInChI=1S/C11H11F4NO4/c1-3-19-10(17)6-4-8(20-11(13,14)15)16-7(5-12)9(6)18-2/h4H,3,5H2,1-2H3
InChIKeyDCMZJIOOVASSGA-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 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879
ethyl 2-[3-methoxy-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681853
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134679532
ethyl 4-amino-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087422
ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134681708
ethyl 3-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668250
ethyl 3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667861
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018
ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134671459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate (CID 134682047) is ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate is CCOC(=O)c1cc(OC(F)(F)F)nc(CF)c1OC.
What is the InChIKey of ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate?
The InChIKey is DCMZJIOOVASSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO4/c1-3-19-10(17)6-4-8(20-11(13,14)15)16-7(5-12)9(6)18-2/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate?
ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-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 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 134682047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).