6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

C7H4F3NO3 — CID 59608154

IUPAC6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-1-3(6(13)14)2-11-5(4)12/h1-2H,(H,11,12)(H,13,14)
InChIKeyXGJIFZUSYVVJCZ-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.09
Rot. Bonds1

About 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (PubChem CID 59608154) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
PubChem CID59608154
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-1-3(6(13)14)2-11-5(4)12/h1-2H,(H,11,12)(H,13,14)
InChIKeyXGJIFZUSYVVJCZ-UHFFFAOYSA-N
XLogP1.09
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-oxo-5-(trifluoromethyl)-1H-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 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (CID 59608154) is 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(C(F)(F)F)c1.
What is the InChIKey of 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is XGJIFZUSYVVJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-3(6(13)14)2-11-5(4)12/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 59608154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).