(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

C11H11F3N2O2 — CID 120965085

IUPAC(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-1-5-9(15-8)16-6-2-3-7(16)10(17)18/h1,4-5,7H,2-3,6H2,(H,17,18)/t7-/m1/s1
InChIKeyIWIRELOXJIFVMD-SSDOTTSWSA-N
MW260.21 g/mol
LogP2.15
Rot. Bonds2

About (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 120965085) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID120965085
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-1-5-9(15-8)16-6-2-3-7(16)10(17)18/h1,4-5,7H,2-3,6H2,(H,17,18)/t7-/m1/s1
InChIKeyIWIRELOXJIFVMD-SSDOTTSWSA-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 (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (CID 120965085) is (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1cccc(C(F)(F)F)n1.
What is the InChIKey of (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IWIRELOXJIFVMD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)8-4-1-5-9(15-8)16-6-2-3-7(16)10(17)18/h1,4-5,7H,2-3,6H2,(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[6-(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 (2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120965085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).