ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate

C11H12F3NO3 — CID 133096845

IUPACethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(OC)cnc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-3-18-9(16)5-7-4-8(17-2)6-15-10(7)11(12,13)14/h4,6H,3,5H2,1-2H3
InChIKeyLNSIPMUABLZBIP-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate

ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate (PubChem CID 133096845) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
PubChem CID133096845
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(OC)cnc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-3-18-9(16)5-7-4-8(17-2)6-15-10(7)11(12,13)14/h4,6H,3,5H2,1-2H3
InChIKeyLNSIPMUABLZBIP-UHFFFAOYSA-N
XLogP2.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]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-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate (CID 133096845) is ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1cc(OC)cnc1C(F)(F)F.
What is the InChIKey of ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate?
The InChIKey is LNSIPMUABLZBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-3-18-9(16)5-7-4-8(17-2)6-15-10(7)11(12,13)14/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate has a molecular weight of 263.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 133096845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).