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

C11H9F6NO4 — CID 134681879

IUPACethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)(F)F)nc(OC(F)(F)F)c1OC
InChIInChI=1S/C11H9F6NO4/c1-3-21-9(19)5-4-6(10(12,13)14)18-8(7(5)20-2)22-11(15,16)17/h4H,3H2,1-2H3
InChIKeyMXQDWQWPZXHPMF-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.18
Rot. Bonds4

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

ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 134681879) has the molecular formula C11H9F6NO4 and a molecular weight of 333.18 g/mol. Its IUPAC name is ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID134681879
Molecular FormulaC11H9F6NO4
Molecular Weight333.18 g/mol
Exact Mass333.04
IUPAC Nameethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)(F)F)nc(OC(F)(F)F)c1OC
InChIInChI=1S/C11H9F6NO4/c1-3-21-9(19)5-4-6(10(12,13)14)18-8(7(5)20-2)22-11(15,16)17/h4H,3H2,1-2H3
InChIKeyMXQDWQWPZXHPMF-UHFFFAOYSA-N
XLogP3.18
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134681442
ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134671459
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
ethyl 2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134668367
ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
CID 134682047
ethyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660433
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660436
ethyl 2-[6-(fluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662016
ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665740
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679107
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate (CID 134681879) is ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1cc(C(F)(F)F)nc(OC(F)(F)F)c1OC.
What is the InChIKey of ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is MXQDWQWPZXHPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO4/c1-3-21-9(19)5-4-6(10(12,13)14)18-8(7(5)20-2)22-11(15,16)17/h4H,3H2,1-2H3.
What are the key properties of ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate?
ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 333.18 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134681879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).