4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one

C8H9F2NO — CID 122543520

IUPAC4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(F)cc(=O)[nH]c1F
InChIInChI=1S/C8H9F2NO/c1-4(2)7-5(9)3-6(12)11-8(7)10/h3-4H,1-2H3,(H,11,12)
InChIKeyUIGJNNYFTQINFC-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.78
Rot. Bonds1

About 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one

4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 122543520) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one
PubChem CID122543520
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(F)cc(=O)[nH]c1F
InChIInChI=1S/C8H9F2NO/c1-4(2)7-5(9)3-6(12)11-8(7)10/h3-4H,1-2H3,(H,11,12)
InChIKeyUIGJNNYFTQINFC-UHFFFAOYSA-N
XLogP1.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.78
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 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one (CID 122543520) is 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one is CC(C)c1c(F)cc(=O)[nH]c1F.
What is the InChIKey of 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is UIGJNNYFTQINFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-4(2)7-5(9)3-6(12)11-8(7)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one?
4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 173.16 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 122543520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).