(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

C11H11F3N2O2 — CID 94918055

IUPAC(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-2-1-4-15-9(8)16-5-3-7(6-16)10(17)18/h1-2,4,7H,3,5-6H2,(H,17,18)/t7-/m1/s1
InChIKeyJBQVIFVLERADRW-SSDOTTSWSA-N
MW260.21 g/mol
LogP2.01
Rot. Bonds2

About (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (PubChem CID 94918055) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
PubChem CID94918055
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-2-1-4-15-9(8)16-5-3-7(6-16)10(17)18/h1-2,4,7H,3,5-6H2,(H,17,18)/t7-/m1/s1
InChIKeyJBQVIFVLERADRW-SSDOTTSWSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 171992769
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
(3S,4S)-4-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 122063982
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 124686664
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 90349844
N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55758731

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (CID 94918055) is (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JBQVIFVLERADRW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)8-2-1-4-15-9(8)16-5-3-7(6-16)10(17)18/h1-2,4,7H,3,5-6H2,(H,17,18)/t7-/m1/s1.
What are the key properties of (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94918055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).