(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid

C11H11F3N2O2 — CID 122051698

IUPAC(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)9-6-7(3-4-15-9)16-5-1-2-8(16)10(17)18/h3-4,6,8H,1-2,5H2,(H,17,18)/t8-/m1/s1
InChIKeyFNZNJSVJQCDEOF-MRVPVSSYSA-N
MW260.21 g/mol
LogP2.15
Rot. Bonds2

About (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 122051698) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID122051698
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)9-6-7(3-4-15-9)16-5-1-2-8(16)10(17)18/h3-4,6,8H,1-2,5H2,(H,17,18)/t8-/m1/s1
InChIKeyFNZNJSVJQCDEOF-MRVPVSSYSA-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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Related Compounds

1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43517516
(2R)-N-(furan-2-ylmethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxamide
CID 125142082
1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 43517695
(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
CID 26872050
piperidin-1-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methanone
CID 166602700
(2S)-1-[4,6-bis(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 166155818
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 106748603
1-[4-(trifluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxylic acid
CID 43455233
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168237

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid (CID 122051698) is (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1ccnc(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FNZNJSVJQCDEOF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)9-6-7(3-4-15-9)16-5-1-2-8(16)10(17)18/h3-4,6,8H,1-2,5H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(trifluoromethyl)-4-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-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).