6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

C8H6F3NO3 — CID 21253041

IUPAC6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)4-15-6-3-1-2-5(12-6)7(13)14/h1-3H,4H2,(H,13,14)
InChIKeyANLJLNWTEWVWCP-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.72
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 21253041) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
PubChem CID21253041
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)4-15-6-3-1-2-5(12-6)7(13)14/h1-3H,4H2,(H,13,14)
InChIKeyANLJLNWTEWVWCP-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (CID 21253041) is 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is O=C(O)c1cccc(OCC(F)(F)F)n1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is ANLJLNWTEWVWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)4-15-6-3-1-2-5(12-6)7(13)14/h1-3H,4H2,(H,13,14).
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
6-(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 6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 21253041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).