2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid

C9H8F3NO3 — CID 81319019

IUPAC2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H8F3NO3/c1-5(8(15)16)13-6(9(10,11)12)3-2-4-7(13)14/h2-5H,1H3,(H,15,16)
InChIKeyICEONVBZRDCZJM-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.51
Rot. Bonds2

About 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid

2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid (PubChem CID 81319019) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
PubChem CID81319019
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C9H8F3NO3/c1-5(8(15)16)13-6(9(10,11)12)3-2-4-7(13)14/h2-5H,1H3,(H,15,16)
InChIKeyICEONVBZRDCZJM-UHFFFAOYSA-N
XLogP1.51
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic 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-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid (CID 81319019) is 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid is CC(C(=O)O)n1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The InChIKey is ICEONVBZRDCZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5(8(15)16)13-6(9(10,11)12)3-2-4-7(13)14/h2-5H,1H3,(H,15,16).
What are the key properties of 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid has a molecular weight of 235.16 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 81319019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).