(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid

C11H11ClF3N3O2 — CID 97169297

IUPAC(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCN1
InChIInChI=1S/C11H11ClF3N3O2/c12-7-3-6(11(13,14)15)4-17-9(7)18-2-1-16-8(5-18)10(19)20/h3-4,8,16H,1-2,5H2,(H,19,20)/t8-/m1/s1
InChIKeyFZMVNGOHHYCPHF-MRVPVSSYSA-N
MW309.68 g/mol
LogP1.62
Rot. Bonds2

About (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid

(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid (PubChem CID 97169297) has the molecular formula C11H11ClF3N3O2 and a molecular weight of 309.68 g/mol. Its IUPAC name is (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
PubChem CID97169297
Molecular FormulaC11H11ClF3N3O2
Molecular Weight309.68 g/mol
Exact Mass309.05
IUPAC Name(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCN1
InChIInChI=1S/C11H11ClF3N3O2/c12-7-3-6(11(13,14)15)4-17-9(7)18-2-1-16-8(5-18)10(19)20/h3-4,8,16H,1-2,5H2,(H,19,20)/t8-/m1/s1
InChIKeyFZMVNGOHHYCPHF-MRVPVSSYSA-N
XLogP1.62
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid (CID 97169297) is (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid is O=C(O)[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCN1.
What is the InChIKey of (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid?
The InChIKey is FZMVNGOHHYCPHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O2/c12-7-3-6(11(13,14)15)4-17-9(7)18-2-1-16-8(5-18)10(19)20/h3-4,8,16H,1-2,5H2,(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid?
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid has a molecular weight of 309.68 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 97169297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).