5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid

C12H11F3N2O4 — CID 102688849

IUPAC5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(C(F)(F)F)nc2)O1
InChIInChI=1S/C12H11F3N2O4/c13-12(14,15)9-4-1-6(5-16-9)17-10(18)7-2-3-8(21-7)11(19)20/h1,4-5,7-8H,2-3H2,(H,17,18)(H,19,20)
InChIKeyJFNLPKVYYQTBGK-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.67
Rot. Bonds3

About 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid

5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688849) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688849
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(C(F)(F)F)nc2)O1
InChIInChI=1S/C12H11F3N2O4/c13-12(14,15)9-4-1-6(5-16-9)17-10(18)7-2-3-8(21-7)11(19)20/h1,4-5,7-8H,2-3H2,(H,17,18)(H,19,20)
InChIKeyJFNLPKVYYQTBGK-UHFFFAOYSA-N
XLogP1.67
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid (CID 102688849) is 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ccc(C(F)(F)F)nc2)O1.
What is the InChIKey of 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is JFNLPKVYYQTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4/c13-12(14,15)9-4-1-6(5-16-9)17-10(18)7-2-3-8(21-7)11(19)20/h1,4-5,7-8H,2-3H2,(H,17,18)(H,19,20).
What are the key properties of 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid?
5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 304.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).