3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

C8H6F3NO3 — CID 57475879

IUPAC3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)4-15-5-2-1-3-12-6(5)7(13)14/h1-3H,4H2,(H,13,14)
InChIKeyZYVCUJPSTZGVCU-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.72
Rot. Bonds3

About 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 57475879) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
PubChem CID57475879
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)4-15-5-2-1-3-12-6(5)7(13)14/h1-3H,4H2,(H,13,14)
InChIKeyZYVCUJPSTZGVCU-UHFFFAOYSA-N
XLogP1.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2,2-trifluoroethoxy)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 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (CID 57475879) is 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is ZYVCUJPSTZGVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)4-15-5-2-1-3-12-6(5)7(13)14/h1-3H,4H2,(H,13,14).
What are the key properties of 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 57475879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).