5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid

C11H9F3N2O3 — CID 82812361

IUPAC5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)8-2-1-7(4-15-8)16-5-6(10(18)19)3-9(16)17/h1-2,4,6H,3,5H2,(H,18,19)
InChIKeyJLSKPAGQSLGPCB-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.54
Rot. Bonds2

About 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid (PubChem CID 82812361) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid
PubChem CID82812361
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)8-2-1-7(4-15-8)16-5-6(10(18)19)3-9(16)17/h1-2,4,6H,3,5H2,(H,18,19)
InChIKeyJLSKPAGQSLGPCB-UHFFFAOYSA-N
XLogP1.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid (CID 82812361) is 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JLSKPAGQSLGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c12-11(13,14)8-2-1-7(4-15-8)16-5-6(10(18)19)3-9(16)17/h1-2,4,6H,3,5H2,(H,18,19).
What are the key properties of 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid has a molecular weight of 274.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82812361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).