1-(4-amino-3,5-difluorophenyl)pyridin-2-one

C11H8F2N2O — CID 69109261

IUPAC1-(4-amino-3,5-difluorophenyl)pyridin-2-one
SMILESNc1c(F)cc(-n2ccccc2=O)cc1F
InChIInChI=1S/C11H8F2N2O/c12-8-5-7(6-9(13)11(8)14)15-4-2-1-3-10(15)16/h1-6H,14H2
InChIKeyMMMCRHNHAIUFOR-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.70
Rot. Bonds1

About 1-(4-amino-3,5-difluorophenyl)pyridin-2-one

1-(4-amino-3,5-difluorophenyl)pyridin-2-one (PubChem CID 69109261) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 1-(4-amino-3,5-difluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-amino-3,5-difluorophenyl)pyridin-2-one
PubChem CID69109261
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name1-(4-amino-3,5-difluorophenyl)pyridin-2-one
SMILESNc1c(F)cc(-n2ccccc2=O)cc1F
InChIInChI=1S/C11H8F2N2O/c12-8-5-7(6-9(13)11(8)14)15-4-2-1-3-10(15)16/h1-6H,14H2
InChIKeyMMMCRHNHAIUFOR-UHFFFAOYSA-N
XLogP1.70
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-difluorophenyl)pyridin-2-one?
The IUPAC name of 1-(4-amino-3,5-difluorophenyl)pyridin-2-one (CID 69109261) is 1-(4-amino-3,5-difluorophenyl)pyridin-2-one.
What is the SMILES notation for 1-(4-amino-3,5-difluorophenyl)pyridin-2-one?
The canonical SMILES for 1-(4-amino-3,5-difluorophenyl)pyridin-2-one is Nc1c(F)cc(-n2ccccc2=O)cc1F.
What is the InChIKey of 1-(4-amino-3,5-difluorophenyl)pyridin-2-one?
The InChIKey is MMMCRHNHAIUFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-8-5-7(6-9(13)11(8)14)15-4-2-1-3-10(15)16/h1-6H,14H2.
What are the key properties of 1-(4-amino-3,5-difluorophenyl)pyridin-2-one?
1-(4-amino-3,5-difluorophenyl)pyridin-2-one has a molecular weight of 222.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-difluorophenyl)pyridin-2-one is sourced from PubChem (CID 69109261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).