3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid

C12H8F3NO4 — CID 81319021

IUPAC3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)8-2-1-3-9(17)16(8)6-7-4-5-20-10(7)11(18)19/h1-5H,6H2,(H,18,19)
InChIKeyOOFGWPUAEZXQBL-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.21
Rot. Bonds3

About 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid

3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid (PubChem CID 81319021) has the molecular formula C12H8F3NO4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid
PubChem CID81319021
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)8-2-1-3-9(17)16(8)6-7-4-5-20-10(7)11(18)19/h1-5H,6H2,(H,18,19)
InChIKeyOOFGWPUAEZXQBL-UHFFFAOYSA-N
XLogP2.21
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid (CID 81319021) is 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid is O=C(O)c1occc1Cn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid?
The InChIKey is OOFGWPUAEZXQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO4/c13-12(14,15)8-2-1-3-9(17)16(8)6-7-4-5-20-10(7)11(18)19/h1-5H,6H2,(H,18,19).
What are the key properties of 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid?
3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid has a molecular weight of 287.19 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 81319021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).