5,6-difluoropyridine-2-carboxylic acid

C6H3F2NO2 — CID 11469221

IUPAC5,6-difluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(F)n1
InChIInChI=1S/C6H3F2NO2/c7-3-1-2-4(6(10)11)9-5(3)8/h1-2H,(H,10,11)
InChIKeyNWMYBARTEFULTJ-UHFFFAOYSA-N
MW159.09 g/mol
LogP1.06
Rot. Bonds1

About 5,6-difluoropyridine-2-carboxylic acid

5,6-difluoropyridine-2-carboxylic acid (PubChem CID 11469221) has the molecular formula C6H3F2NO2 and a molecular weight of 159.09 g/mol. Its IUPAC name is 5,6-difluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-difluoropyridine-2-carboxylic acid
PubChem CID11469221
Molecular FormulaC6H3F2NO2
Molecular Weight159.09 g/mol
Exact Mass159.01
IUPAC Name5,6-difluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(F)n1
InChIInChI=1S/C6H3F2NO2/c7-3-1-2-4(6(10)11)9-5(3)8/h1-2H,(H,10,11)
InChIKeyNWMYBARTEFULTJ-UHFFFAOYSA-N
XLogP1.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 51.06
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 5,6-difluoropyridine-2-carboxylic acid?
The IUPAC name of 5,6-difluoropyridine-2-carboxylic acid (CID 11469221) is 5,6-difluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5,6-difluoropyridine-2-carboxylic acid?
The canonical SMILES for 5,6-difluoropyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(F)n1.
What is the InChIKey of 5,6-difluoropyridine-2-carboxylic acid?
The InChIKey is NWMYBARTEFULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NO2/c7-3-1-2-4(6(10)11)9-5(3)8/h1-2H,(H,10,11).
What are the key properties of 5,6-difluoropyridine-2-carboxylic acid?
5,6-difluoropyridine-2-carboxylic acid has a molecular weight of 159.09 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoropyridine-2-carboxylic acid is sourced from PubChem (CID 11469221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).