2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid

C7H3F4NO2 — CID 97035085

IUPAC2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1F
InChIInChI=1S/C7H3F4NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKeyIIXAAQLXVLZXBZ-UHFFFAOYSA-N
MW209.10 g/mol
LogP1.94
Rot. Bonds1

About 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 97035085) has the molecular formula C7H3F4NO2 and a molecular weight of 209.10 g/mol. Its IUPAC name is 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID97035085
Molecular FormulaC7H3F4NO2
Molecular Weight209.10 g/mol
Exact Mass209.01
IUPAC Name2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1F
InChIInChI=1S/C7H3F4NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKeyIIXAAQLXVLZXBZ-UHFFFAOYSA-N
XLogP1.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-6-(trifluoromethyl)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-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 97035085) is 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1F.
What is the InChIKey of 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is IIXAAQLXVLZXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14).
What are the key properties of 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 209.10 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 97035085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).