3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid

C11H11F3N2O3 — CID 114270115

IUPAC3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2ccnc(C(F)(F)F)c2)CCOC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-5-7(1-3-15-8)16-10(9(17)18)2-4-19-6-10/h1,3,5H,2,4,6H2,(H,15,16)(H,17,18)
InChIKeyXZWLLYKDKNKBTK-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.76
Rot. Bonds3

About 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid

3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid (PubChem CID 114270115) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
PubChem CID114270115
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2ccnc(C(F)(F)F)c2)CCOC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-5-7(1-3-15-8)16-10(9(17)18)2-4-19-6-10/h1,3,5H,2,4,6H2,(H,15,16)(H,17,18)
InChIKeyXZWLLYKDKNKBTK-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid (CID 114270115) is 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid is O=C(O)C1(Nc2ccnc(C(F)(F)F)c2)CCOC1.
What is the InChIKey of 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid?
The InChIKey is XZWLLYKDKNKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)8-5-7(1-3-15-8)16-10(9(17)18)2-4-19-6-10/h1,3,5H,2,4,6H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid?
3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114270115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).