(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

C11H10ClF3N2O2 — CID 5304877

IUPAC(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h4-5,8H,1-3H2,(H,18,19)/t8-/m0/s1
InChIKeyWXKOCGWNMDEHQU-QMMMGPOBSA-N
MW294.66 g/mol
LogP2.81
Rot. Bonds2

About (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid

(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 5304877) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID5304877
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h4-5,8H,1-3H2,(H,18,19)/t8-/m0/s1
InChIKeyWXKOCGWNMDEHQU-QMMMGPOBSA-N
XLogP2.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid (CID 5304877) is (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WXKOCGWNMDEHQU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h4-5,8H,1-3H2,(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 294.66 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 5304877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).