ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate

C10H9ClF3NO2 — CID 118168634

IUPACethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)(F)F)ncc1Cl
InChIInChI=1S/C10H9ClF3NO2/c1-2-17-9(16)4-6-3-8(10(12,13)14)15-5-7(6)11/h3,5H,2,4H2,1H3
InChIKeyTYAOWLZJPDFJMY-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.86
Rot. Bonds3

About ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate

ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate (PubChem CID 118168634) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
PubChem CID118168634
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Nameethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)(F)F)ncc1Cl
InChIInChI=1S/C10H9ClF3NO2/c1-2-17-9(16)4-6-3-8(10(12,13)14)15-5-7(6)11/h3,5H,2,4H2,1H3
InChIKeyTYAOWLZJPDFJMY-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097921
ethyl 2-[4-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096696
ethyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097919
methyl 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097692
ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134666262
ethyl 5-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylate
CID 155892300
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096845
ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098329
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366
methyl 2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097179
ethyl 2-[2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate (CID 118168634) is ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)(F)F)ncc1Cl.
What is the InChIKey of ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate?
The InChIKey is TYAOWLZJPDFJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-2-17-9(16)4-6-3-8(10(12,13)14)15-5-7(6)11/h3,5H,2,4H2,1H3.
What are the key properties of ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate?
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate has a molecular weight of 267.63 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 118168634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).