3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde

C6H3F2NO2 — CID 141337902

IUPAC3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1c(F)c[nH]c(=O)c1F
InChIInChI=1S/C6H3F2NO2/c7-4-1-9-6(11)5(8)3(4)2-10/h1-2H,(H,9,11)
InChIKeyVLVCQBATYLLPRA-UHFFFAOYSA-N
MW159.09 g/mol
LogP0.47
Rot. Bonds1

About 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde

3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 141337902) has the molecular formula C6H3F2NO2 and a molecular weight of 159.09 g/mol. Its IUPAC name is 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID141337902
Molecular FormulaC6H3F2NO2
Molecular Weight159.09 g/mol
Exact Mass159.01
IUPAC Name3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1c(F)c[nH]c(=O)c1F
InChIInChI=1S/C6H3F2NO2/c7-4-1-9-6(11)5(8)3(4)2-10/h1-2H,(H,9,11)
InChIKeyVLVCQBATYLLPRA-UHFFFAOYSA-N
XLogP0.47
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde (CID 141337902) is 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde is O=Cc1c(F)c[nH]c(=O)c1F.
What is the InChIKey of 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is VLVCQBATYLLPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NO2/c7-4-1-9-6(11)5(8)3(4)2-10/h1-2H,(H,9,11).
What are the key properties of 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde?
3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 159.09 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 141337902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).