1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid

C11H10F4N2O2 — CID 23441777

IUPAC1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C11H10F4N2O2/c12-6-8(7(13)10(15)16-9(6)14)17-3-1-5(2-4-17)11(18)19/h5H,1-4H2,(H,18,19)
InChIKeyGLLHHQKPLLHNIW-UHFFFAOYSA-N
MW278.20 g/mol
LogP1.94
Rot. Bonds2

About 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid

1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 23441777) has the molecular formula C11H10F4N2O2 and a molecular weight of 278.20 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid
PubChem CID23441777
Molecular FormulaC11H10F4N2O2
Molecular Weight278.20 g/mol
Exact Mass278.07
IUPAC Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C11H10F4N2O2/c12-6-8(7(13)10(15)16-9(6)14)17-3-1-5(2-4-17)11(18)19/h5H,1-4H2,(H,18,19)
InChIKeyGLLHHQKPLLHNIW-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid (CID 23441777) is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is GLLHHQKPLLHNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O2/c12-6-8(7(13)10(15)16-9(6)14)17-3-1-5(2-4-17)11(18)19/h5H,1-4H2,(H,18,19).
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid?
1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 278.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 23441777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).