4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid

C12H13F3N2O3 — CID 66235369

IUPAC4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
SMILESCN(c1ccc(C(F)(F)F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-17(9-6-20-5-8(9)11(18)19)10-3-2-7(4-16-10)12(13,14)15/h2-4,8-9H,5-6H2,1H3,(H,18,19)
InChIKeyQZTHEXUPHVKYHM-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.64
Rot. Bonds3

About 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid

4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid (PubChem CID 66235369) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
PubChem CID66235369
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
SMILESCN(c1ccc(C(F)(F)F)cn1)C1COCC1C(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-17(9-6-20-5-8(9)11(18)19)10-3-2-7(4-16-10)12(13,14)15/h2-4,8-9H,5-6H2,1H3,(H,18,19)
InChIKeyQZTHEXUPHVKYHM-UHFFFAOYSA-N
XLogP1.64
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid (CID 66235369) is 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid is CN(c1ccc(C(F)(F)F)cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid?
The InChIKey is QZTHEXUPHVKYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-17(9-6-20-5-8(9)11(18)19)10-3-2-7(4-16-10)12(13,14)15/h2-4,8-9H,5-6H2,1H3,(H,18,19).
What are the key properties of 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid has a molecular weight of 290.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).