5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid

C10H8F3NO3 — CID 170948698

IUPAC5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C10H8F3NO3/c1-2-6-3-7(9(16)17)8(15)14(4-6)5-10(11,12)13/h2-4H,1,5H2,(H,16,17)
InChIKeyHXBBDTRHRJNFMR-UHFFFAOYSA-N
MW247.17 g/mol
LogP1.75
Rot. Bonds3

About 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid

5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid (PubChem CID 170948698) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
PubChem CID170948698
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c(=O)n(CC(F)(F)F)c1
InChIInChI=1S/C10H8F3NO3/c1-2-6-3-7(9(16)17)8(15)14(4-6)5-10(11,12)13/h2-4H,1,5H2,(H,16,17)
InChIKeyHXBBDTRHRJNFMR-UHFFFAOYSA-N
XLogP1.75
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid (CID 170948698) is 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid is C=Cc1cc(C(=O)O)c(=O)n(CC(F)(F)F)c1.
What is the InChIKey of 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The InChIKey is HXBBDTRHRJNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c1-2-6-3-7(9(16)17)8(15)14(4-6)5-10(11,12)13/h2-4H,1,5H2,(H,16,17).
What are the key properties of 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid has a molecular weight of 247.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170948698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).