ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate

C12H14F3NO4 — CID 134681865

IUPACethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(OC)cc(C)nc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO4/c1-4-19-10(17)6-8-9(18-3)5-7(2)16-11(8)20-12(13,14)15/h5H,4,6H2,1-3H3
InChIKeyAOZOEJUYXIXXGJ-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.40
Rot. Bonds5

About ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate

ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 134681865) has the molecular formula C12H14F3NO4 and a molecular weight of 293.24 g/mol. Its IUPAC name is ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID134681865
Molecular FormulaC12H14F3NO4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Nameethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(OC)cc(C)nc1OC(F)(F)F
InChIInChI=1S/C12H14F3NO4/c1-4-19-10(17)6-8-9(18-3)5-7(2)16-11(8)20-12(13,14)15/h5H,4,6H2,1-3H3
InChIKeyAOZOEJUYXIXXGJ-UHFFFAOYSA-N
XLogP2.40
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677365
methyl 2-[2-methoxy-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660556
ethyl 2-[3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134681442
ethyl 2-[6-methoxy-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681825
ethyl 2-[6-(fluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662016
ethyl 2-[6-methyl-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134672629
ethyl 2-[5-iodo-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134680696
ethyl 2-[5-iodo-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659124
ethyl 2-[3-iodo-6-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659134
ethyl 2-[5-methoxy-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134660565
ethyl 2-[4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682417
ethyl 2-[5-methoxy-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate (CID 134681865) is ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate is CCOC(=O)Cc1c(OC)cc(C)nc1OC(F)(F)F.
What is the InChIKey of ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is AOZOEJUYXIXXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4/c1-4-19-10(17)6-8-9(18-3)5-7(2)16-11(8)20-12(13,14)15/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate?
ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate has a molecular weight of 293.24 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 134681865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).