3,5-difluoro-3H-pyridin-2-one

C5H3F2NO — CID 73174402

IUPAC3,5-difluoro-3H-pyridin-2-one
SMILESO=C1N=CC(F)=CC1F
InChIInChI=1S/C5H3F2NO/c6-3-1-4(7)5(9)8-2-3/h1-2,4H
InChIKeyNEWXDOQYJCUIQH-UHFFFAOYSA-N
MW131.08 g/mol
LogP0.79
Rot. Bonds

About 3,5-difluoro-3H-pyridin-2-one

3,5-difluoro-3H-pyridin-2-one (PubChem CID 73174402) has the molecular formula C5H3F2NO and a molecular weight of 131.08 g/mol. Its IUPAC name is 3,5-difluoro-3H-pyridin-2-one.

Molecular Properties

Compound Name3,5-difluoro-3H-pyridin-2-one
PubChem CID73174402
Molecular FormulaC5H3F2NO
Molecular Weight131.08 g/mol
Exact Mass131.02
IUPAC Name3,5-difluoro-3H-pyridin-2-one
SMILESO=C1N=CC(F)=CC1F
InChIInChI=1S/C5H3F2NO/c6-3-1-4(7)5(9)8-2-3/h1-2,4H
InChIKeyNEWXDOQYJCUIQH-UHFFFAOYSA-N
XLogP0.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.08
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-3H-pyridin-2-one?
The IUPAC name of 3,5-difluoro-3H-pyridin-2-one (CID 73174402) is 3,5-difluoro-3H-pyridin-2-one.
What is the SMILES notation for 3,5-difluoro-3H-pyridin-2-one?
The canonical SMILES for 3,5-difluoro-3H-pyridin-2-one is O=C1N=CC(F)=CC1F.
What is the InChIKey of 3,5-difluoro-3H-pyridin-2-one?
The InChIKey is NEWXDOQYJCUIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO/c6-3-1-4(7)5(9)8-2-3/h1-2,4H.
What are the key properties of 3,5-difluoro-3H-pyridin-2-one?
3,5-difluoro-3H-pyridin-2-one has a molecular weight of 131.08 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-3H-pyridin-2-one is sourced from PubChem (CID 73174402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).