ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate

C11H9F6NO4 — CID 134666262

IUPACethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)(F)F)nc(OC(F)(F)F)c1O
InChIInChI=1S/C11H9F6NO4/c1-2-21-7(19)4-5-3-6(10(12,13)14)18-9(8(5)20)22-11(15,16)17/h3,20H,2,4H2,1H3
InChIKeyBWWSBECQUIBVHS-UHFFFAOYSA-N
MW333.18 g/mol
LogP2.81
Rot. Bonds4

About ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate

ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate (PubChem CID 134666262) has the molecular formula C11H9F6NO4 and a molecular weight of 333.18 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
PubChem CID134666262
Molecular FormulaC11H9F6NO4
Molecular Weight333.18 g/mol
Exact Mass333.04
IUPAC Nameethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)(F)F)nc(OC(F)(F)F)c1O
InChIInChI=1S/C11H9F6NO4/c1-2-21-7(19)4-5-3-6(10(12,13)14)18-9(8(5)20)22-11(15,16)17/h3,20H,2,4H2,1H3
InChIKeyBWWSBECQUIBVHS-UHFFFAOYSA-N
XLogP2.81
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-(aminomethyl)-3-hydroxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659001
ethyl 2-[3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134681442
ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134659768
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 118168634
ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098328
ethyl 2-[4,6-bis(trifluoromethyl)-2-pyridinyl]acetate
CID 171030486
ethyl 2-[5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681321
ethyl 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133103838
ethyl 2-[3-iodo-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665864
ethyl 2-[6-(fluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662016
ethyl 2-[5-(chloromethyl)-3-hydroxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134660731
ethyl 2-[6-methyl-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134672629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate (CID 134666262) is ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)(F)F)nc(OC(F)(F)F)c1O.
What is the InChIKey of ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate?
The InChIKey is BWWSBECQUIBVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO4/c1-2-21-7(19)4-5-3-6(10(12,13)14)18-9(8(5)20)22-11(15,16)17/h3,20H,2,4H2,1H3.
What are the key properties of ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate?
ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate has a molecular weight of 333.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 134666262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).