1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde

C13H9F2NO2 — CID 89060821

IUPAC1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1cccn(Cc2cc(F)cc(F)c2)c1=O
InChIInChI=1S/C13H9F2NO2/c14-11-4-9(5-12(15)6-11)7-16-3-1-2-10(8-17)13(16)18/h1-6,8H,7H2
InChIKeyYIFCLNHZZWRCLI-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.99
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde

1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde (PubChem CID 89060821) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
PubChem CID89060821
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1cccn(Cc2cc(F)cc(F)c2)c1=O
InChIInChI=1S/C13H9F2NO2/c14-11-4-9(5-12(15)6-11)7-16-3-1-2-10(8-17)13(16)18/h1-6,8H,7H2
InChIKeyYIFCLNHZZWRCLI-UHFFFAOYSA-N
XLogP1.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde (CID 89060821) is 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde is O=Cc1cccn(Cc2cc(F)cc(F)c2)c1=O.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde?
The InChIKey is YIFCLNHZZWRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c14-11-4-9(5-12(15)6-11)7-16-3-1-2-10(8-17)13(16)18/h1-6,8H,7H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde?
1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde has a molecular weight of 249.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 89060821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).