1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

C11H11F3N2O2 — CID 16795799

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-4-9(15-6-7)16-5-1-2-8(16)10(17)18/h3-4,6,8H,1-2,5H2,(H,17,18)
InChIKeyJRHAYKHUEJLMDA-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.15
Rot. Bonds2

About 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 16795799) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID16795799
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-4-9(15-6-7)16-5-1-2-8(16)10(17)18/h3-4,6,8H,1-2,5H2,(H,17,18)
InChIKeyJRHAYKHUEJLMDA-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (CID 16795799) is 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JRHAYKHUEJLMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)7-3-4-9(15-6-7)16-5-1-2-8(16)10(17)18/h3-4,6,8H,1-2,5H2,(H,17,18).
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16795799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).