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

C8H6F3NO3 — CID 63937618

IUPAC2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)4-12-3-1-2-5(6(12)13)7(14)15/h1-3H,4H2,(H,14,15)
InChIKeyYPYGBJOFNDFVDU-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.11
Rot. Bonds2

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

2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid (PubChem CID 63937618) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
PubChem CID63937618
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)4-12-3-1-2-5(6(12)13)7(14)15/h1-3H,4H2,(H,14,15)
InChIKeyYPYGBJOFNDFVDU-UHFFFAOYSA-N
XLogP1.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid (CID 63937618) is 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid is O=C(O)c1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
The InChIKey is YPYGBJOFNDFVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)4-12-3-1-2-5(6(12)13)7(14)15/h1-3H,4H2,(H,14,15).
What are the key properties of 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid?
2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63937618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).