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

C11H10F3NO3 — CID 174310979

IUPAC5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c(=O)n(CCC(F)(F)F)c1
InChIInChI=1S/C11H10F3NO3/c1-2-7-5-8(10(17)18)9(16)15(6-7)4-3-11(12,13)14/h2,5-6H,1,3-4H2,(H,17,18)
InChIKeyHJVQDBBYVRNETB-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.14
Rot. Bonds4

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

5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid (PubChem CID 174310979) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
PubChem CID174310979
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c(=O)n(CCC(F)(F)F)c1
InChIInChI=1S/C11H10F3NO3/c1-2-7-5-8(10(17)18)9(16)15(6-7)4-3-11(12,13)14/h2,5-6H,1,3-4H2,(H,17,18)
InChIKeyHJVQDBBYVRNETB-UHFFFAOYSA-N
XLogP2.14
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.14
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-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid (CID 174310979) is 5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid is C=Cc1cc(C(=O)O)c(=O)n(CCC(F)(F)F)c1.
What is the InChIKey of 5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The InChIKey is HJVQDBBYVRNETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-2-7-5-8(10(17)18)9(16)15(6-7)4-3-11(12,13)14/h2,5-6H,1,3-4H2,(H,17,18).
What are the key properties of 5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
5-ethenyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid has a molecular weight of 261.20 g/mol, XLogP of 2.14, 4 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-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 174310979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).