1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid

C11H8ClF3N2O3 — CID 67775314

IUPAC1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1c1cc(Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C11H8ClF3N2O3/c12-6-3-8(16-4-5(6)11(13,14)15)17-7(10(19)20)1-2-9(17)18/h3-4,7H,1-2H2,(H,19,20)
InChIKeyCRBAMVDWRNCLGZ-UHFFFAOYSA-N
MW308.64 g/mol
LogP2.33
Rot. Bonds2

About 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid

1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 67775314) has the molecular formula C11H8ClF3N2O3 and a molecular weight of 308.64 g/mol. Its IUPAC name is 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID67775314
Molecular FormulaC11H8ClF3N2O3
Molecular Weight308.64 g/mol
Exact Mass308.02
IUPAC Name1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1c1cc(Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C11H8ClF3N2O3/c12-6-3-8(16-4-5(6)11(13,14)15)17-7(10(19)20)1-2-9(17)18/h3-4,7H,1-2H2,(H,19,20)
InChIKeyCRBAMVDWRNCLGZ-UHFFFAOYSA-N
XLogP2.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid (CID 67775314) is 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1c1cc(Cl)c(C(F)(F)F)cn1.
What is the InChIKey of 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is CRBAMVDWRNCLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O3/c12-6-3-8(16-4-5(6)11(13,14)15)17-7(10(19)20)1-2-9(17)18/h3-4,7H,1-2H2,(H,19,20).
What are the key properties of 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 308.64 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67775314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).