5-(trifluoromethoxy)pyridine-2-carboxylic acid

C7H4F3NO3 — CID 19860738

IUPAC5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)14-4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13)
InChIKeyGBEFAEXUUBIUIK-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.68
Rot. Bonds2

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

5-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 19860738) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 5-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID19860738
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)14-4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13)
InChIKeyGBEFAEXUUBIUIK-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

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 19860738) is 5-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is GBEFAEXUUBIUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-7(9,10)14-4-1-2-5(6(12)13)11-3-4/h1-3H,(H,12,13).
What are the key properties of 5-(trifluoromethoxy)pyridine-2-carboxylic acid?
5-(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 5-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 19860738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).