ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate

C11H12F3NO3 — CID 81319157

IUPACethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
SMILESCCOC(=O)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H12F3NO3/c1-2-18-10(17)6-7-15-8(11(12,13)14)4-3-5-9(15)16/h3-5H,2,6-7H2,1H3
InChIKeyHUDVLMDBHXQCHW-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.82
Rot. Bonds4

About ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate

ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate (PubChem CID 81319157) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
PubChem CID81319157
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Nameethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
SMILESCCOC(=O)CCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C11H12F3NO3/c1-2-18-10(17)6-7-15-8(11(12,13)14)4-3-5-9(15)16/h3-5H,2,6-7H2,1H3
InChIKeyHUDVLMDBHXQCHW-UHFFFAOYSA-N
XLogP1.82
TPSA48.30 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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate (CID 81319157) is ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate is CCOC(=O)CCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate?
The InChIKey is HUDVLMDBHXQCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-2-18-10(17)6-7-15-8(11(12,13)14)4-3-5-9(15)16/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate?
ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate has a molecular weight of 263.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate is sourced from PubChem (CID 81319157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).