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

C11H9F6NO4 — CID 134680122

IUPACethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)cc(C(F)(F)F)nc1OC(F)(F)F
InChIInChI=1S/C11H9F6NO4/c1-3-21-9(19)7-5(20-2)4-6(10(12,13)14)18-8(7)22-11(15,16)17/h4H,3H2,1-2H3
InChIKeyKJSPVULFHVBVQR-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.18
Rot. Bonds4

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

ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 134680122) has the molecular formula C11H9F6NO4 and a molecular weight of 333.18 g/mol. Its IUPAC name is ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID134680122
Molecular FormulaC11H9F6NO4
Molecular Weight333.18 g/mol
Exact Mass333.04
IUPAC Nameethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)cc(C(F)(F)F)nc1OC(F)(F)F
InChIInChI=1S/C11H9F6NO4/c1-3-21-9(19)7-5(20-2)4-6(10(12,13)14)18-8(7)22-11(15,16)17/h4H,3H2,1-2H3
InChIKeyKJSPVULFHVBVQR-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 6-(chloromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681855
ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879
ethyl 2-[3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134681442
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
ethyl 3-hydroxy-5-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134665109
ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668484
ethyl 6-(bromomethyl)-2-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675576
ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68683222
ethyl 2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134668367
ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134666262
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134662339

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 134680122) is ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(OC)cc(C(F)(F)F)nc1OC(F)(F)F.
What is the InChIKey of ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is KJSPVULFHVBVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO4/c1-3-21-9(19)7-5(20-2)4-6(10(12,13)14)18-8(7)22-11(15,16)17/h4H,3H2,1-2H3.
What are the key properties of ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-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 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134680122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).