2,3,5,6-tetrafluoropyridine-4-carboxylic acid

C6HF4NO2 — CID 2776758

IUPAC2,3,5,6-tetrafluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C6HF4NO2/c7-2-1(6(12)13)3(8)5(10)11-4(2)9/h(H,12,13)
InChIKeyAMMDBAYDZHUEHR-UHFFFAOYSA-N
MW195.07 g/mol
LogP1.34
Rot. Bonds1

About 2,3,5,6-tetrafluoropyridine-4-carboxylic acid

2,3,5,6-tetrafluoropyridine-4-carboxylic acid (PubChem CID 2776758) has the molecular formula C6HF4NO2 and a molecular weight of 195.07 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3,5,6-tetrafluoropyridine-4-carboxylic acid
PubChem CID2776758
Molecular FormulaC6HF4NO2
Molecular Weight195.07 g/mol
Exact Mass194.99
IUPAC Name2,3,5,6-tetrafluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C6HF4NO2/c7-2-1(6(12)13)3(8)5(10)11-4(2)9/h(H,12,13)
InChIKeyAMMDBAYDZHUEHR-UHFFFAOYSA-N
XLogP1.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoropyridine-4-carboxylic acid?
The IUPAC name of 2,3,5,6-tetrafluoropyridine-4-carboxylic acid (CID 2776758) is 2,3,5,6-tetrafluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2,3,5,6-tetrafluoropyridine-4-carboxylic acid?
The canonical SMILES for 2,3,5,6-tetrafluoropyridine-4-carboxylic acid is O=C(O)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoropyridine-4-carboxylic acid?
The InChIKey is AMMDBAYDZHUEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF4NO2/c7-2-1(6(12)13)3(8)5(10)11-4(2)9/h(H,12,13).
What are the key properties of 2,3,5,6-tetrafluoropyridine-4-carboxylic acid?
2,3,5,6-tetrafluoropyridine-4-carboxylic acid has a molecular weight of 195.07 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoropyridine-4-carboxylic acid is sourced from PubChem (CID 2776758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).