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

C10H10F3NO3 — CID 133096512

IUPACethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-2-17-9(16)3-6-5-14-8(15)4-7(6)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyJDJWJEOQCPNONI-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.50
Rot. Bonds3

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

ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate (PubChem CID 133096512) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
PubChem CID133096512
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Nameethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-2-17-9(16)3-6-5-14-8(15)4-7(6)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyJDJWJEOQCPNONI-UHFFFAOYSA-N
XLogP1.50
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[6-oxo-4-(trifluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate (CID 133096512) is ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate is CCOC(=O)Cc1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
The InChIKey is JDJWJEOQCPNONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-2-17-9(16)3-6-5-14-8(15)4-7(6)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate?
ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate has a molecular weight of 249.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 133096512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).