5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid

C7H3ClF3NO3 — CID 130089872

IUPAC5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c(OC(F)(F)F)n1
InChIInChI=1S/C7H3ClF3NO3/c8-3-1-2-4(6(13)14)12-5(3)15-7(9,10)11/h1-2H,(H,13,14)
InChIKeyQEUVNOLIIDPMAZ-UHFFFAOYSA-N
MW241.55 g/mol
LogP2.33
Rot. Bonds2

About 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid

5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 130089872) has the molecular formula C7H3ClF3NO3 and a molecular weight of 241.55 g/mol. Its IUPAC name is 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID130089872
Molecular FormulaC7H3ClF3NO3
Molecular Weight241.55 g/mol
Exact Mass240.98
IUPAC Name5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cl)c(OC(F)(F)F)n1
InChIInChI=1S/C7H3ClF3NO3/c8-3-1-2-4(6(13)14)12-5(3)15-7(9,10)11/h1-2H,(H,13,14)
InChIKeyQEUVNOLIIDPMAZ-UHFFFAOYSA-N
XLogP2.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.55
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 130089872) is 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(Cl)c(OC(F)(F)F)n1.
What is the InChIKey of 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is QEUVNOLIIDPMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO3/c8-3-1-2-4(6(13)14)12-5(3)15-7(9,10)11/h1-2H,(H,13,14).
What are the key properties of 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid?
5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 241.55 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 130089872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).