3,6-difluoro-1H-pyridin-2-one

C5H3F2NO — CID 20674246

IUPAC3,6-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(F)ccc1F
InChIInChI=1S/C5H3F2NO/c6-3-1-2-4(7)8-5(3)9/h1-2H,(H,8,9)
InChIKeyQQLOTHOYYBLZGU-UHFFFAOYSA-N
MW131.08 g/mol
LogP0.65
Rot. Bonds

About 3,6-difluoro-1H-pyridin-2-one

3,6-difluoro-1H-pyridin-2-one (PubChem CID 20674246) has the molecular formula C5H3F2NO and a molecular weight of 131.08 g/mol. Its IUPAC name is 3,6-difluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3,6-difluoro-1H-pyridin-2-one
PubChem CID20674246
Molecular FormulaC5H3F2NO
Molecular Weight131.08 g/mol
Exact Mass131.02
IUPAC Name3,6-difluoro-1H-pyridin-2-one
SMILESO=c1[nH]c(F)ccc1F
InChIInChI=1S/C5H3F2NO/c6-3-1-2-4(7)8-5(3)9/h1-2H,(H,8,9)
InChIKeyQQLOTHOYYBLZGU-UHFFFAOYSA-N
XLogP0.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.08
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,6-difluoro-1H-pyridin-2-one?
The IUPAC name of 3,6-difluoro-1H-pyridin-2-one (CID 20674246) is 3,6-difluoro-1H-pyridin-2-one.
What is the SMILES notation for 3,6-difluoro-1H-pyridin-2-one?
The canonical SMILES for 3,6-difluoro-1H-pyridin-2-one is O=c1[nH]c(F)ccc1F.
What is the InChIKey of 3,6-difluoro-1H-pyridin-2-one?
The InChIKey is QQLOTHOYYBLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO/c6-3-1-2-4(7)8-5(3)9/h1-2H,(H,8,9).
What are the key properties of 3,6-difluoro-1H-pyridin-2-one?
3,6-difluoro-1H-pyridin-2-one has a molecular weight of 131.08 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-1H-pyridin-2-one is sourced from PubChem (CID 20674246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).