3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

C8H6F3NO3 — CID 175397077

IUPAC3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OC(F)C(F)F
InChIInChI=1S/C8H6F3NO3/c9-6(10)7(11)15-4-2-1-3-12-5(4)8(13)14/h1-3,6-7H,(H,13,14)
InChIKeyQNSXGGAYNUCIQH-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.72
Rot. Bonds4

About 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 175397077) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
PubChem CID175397077
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OC(F)C(F)F
InChIInChI=1S/C8H6F3NO3/c9-6(10)7(11)15-4-2-1-3-12-5(4)8(13)14/h1-3,6-7H,(H,13,14)
InChIKeyQNSXGGAYNUCIQH-UHFFFAOYSA-N
XLogP1.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(1,2,2-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

Related Compounds

3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid
CID 20977743
3-cyanatopyridine-2-carboxylic acid
CID 130739739
3-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 61380391
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
CID 156632330
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
pyridine-2,3-dicarboxylic acid
CID 1066
3-(5-bromo-2-fluorophenoxy)pyridine-2-carboxylic acid
CID 114677043
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088
3-[2-(4-fluorophenyl)sulfanylethoxy]pyridine-2-carboxylic acid
CID 61380108
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (CID 175397077) is 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OC(F)C(F)F.
What is the InChIKey of 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is QNSXGGAYNUCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-6(10)7(11)15-4-2-1-3-12-5(4)8(13)14/h1-3,6-7H,(H,13,14).
What are the key properties of 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 175397077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).