ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate

C11H10F5NO4 — CID 134680673

IUPACethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C11H10F5NO4/c1-2-20-8(19)4-6-5(9(12)13)3-7(18)17-10(6)21-11(14,15)16/h3,9H,2,4H2,1H3,(H,17,18)
InChIKeyBREPRUBTKACUEB-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.32
Rot. Bonds5

About ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate

ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate (PubChem CID 134680673) has the molecular formula C11H10F5NO4 and a molecular weight of 315.19 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
PubChem CID134680673
Molecular FormulaC11H10F5NO4
Molecular Weight315.19 g/mol
Exact Mass315.05
IUPAC Nameethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C11H10F5NO4/c1-2-20-8(19)4-6-5(9(12)13)3-7(18)17-10(6)21-11(14,15)16/h3,9H,2,4H2,1H3,(H,17,18)
InChIKeyBREPRUBTKACUEB-UHFFFAOYSA-N
XLogP2.32
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134680788
ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093525
ethyl 2-[5-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102186
ethyl 2-[5-(chloromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664506
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134681160
ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate
CID 134669228
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
CID 133103526
ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
ethyl 2-[4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661063
ethyl 2-[5-nitro-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665425
ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133093261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate (CID 134680673) is ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate is CCOC(=O)Cc1c(C(F)F)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The InChIKey is BREPRUBTKACUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO4/c1-2-20-8(19)4-6-5(9(12)13)3-7(18)17-10(6)21-11(14,15)16/h3,9H,2,4H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate has a molecular weight of 315.19 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 134680673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).