4-(trifluoromethoxy)pyridine-2-carboxylic acid

C7H4F3NO3 — CID 86276825

IUPAC4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC(F)(F)F)ccn1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)14-4-1-2-11-5(3-4)6(12)13/h1-3H,(H,12,13)
InChIKeyFHAYOGOEBFDHHT-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.68
Rot. Bonds2

About 4-(trifluoromethoxy)pyridine-2-carboxylic acid

4-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 86276825) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 4-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID86276825
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC(F)(F)F)ccn1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)14-4-1-2-11-5(3-4)6(12)13/h1-3H,(H,12,13)
InChIKeyFHAYOGOEBFDHHT-UHFFFAOYSA-N
XLogP1.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(trifluoromethoxy)pyridine-2-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 4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 86276825) is 4-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1cc(OC(F)(F)F)ccn1.
What is the InChIKey of 4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is FHAYOGOEBFDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-7(9,10)14-4-1-2-11-5(3-4)6(12)13/h1-3H,(H,12,13).
What are the key properties of 4-(trifluoromethoxy)pyridine-2-carboxylic acid?
4-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 86276825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).