2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid

C13H10F3NO4 — CID 81308769

IUPAC2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid
SMILESCc1oc(Cn2c(C(F)(F)F)cccc2=O)cc1C(=O)O
InChIInChI=1S/C13H10F3NO4/c1-7-9(12(19)20)5-8(21-7)6-17-10(13(14,15)16)3-2-4-11(17)18/h2-5H,6H2,1H3,(H,19,20)
InChIKeyWFJIMUINCKMUMA-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.52
Rot. Bonds3

About 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid

2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid (PubChem CID 81308769) has the molecular formula C13H10F3NO4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid
PubChem CID81308769
Molecular FormulaC13H10F3NO4
Molecular Weight301.22 g/mol
Exact Mass301.06
IUPAC Name2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid
SMILESCc1oc(Cn2c(C(F)(F)F)cccc2=O)cc1C(=O)O
InChIInChI=1S/C13H10F3NO4/c1-7-9(12(19)20)5-8(21-7)6-17-10(13(14,15)16)3-2-4-11(17)18/h2-5H,6H2,1H3,(H,19,20)
InChIKeyWFJIMUINCKMUMA-UHFFFAOYSA-N
XLogP2.52
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid (CID 81308769) is 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid is Cc1oc(Cn2c(C(F)(F)F)cccc2=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid?
The InChIKey is WFJIMUINCKMUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4/c1-7-9(12(19)20)5-8(21-7)6-17-10(13(14,15)16)3-2-4-11(17)18/h2-5H,6H2,1H3,(H,19,20).
What are the key properties of 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid?
2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid has a molecular weight of 301.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 81308769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).