4-ethynyl-5-fluoro-1H-pyridin-2-one

C7H4FNO — CID 74892559

IUPAC4-ethynyl-5-fluoro-1H-pyridin-2-one
SMILESC#Cc1cc(=O)[nH]cc1F
InChIInChI=1S/C7H4FNO/c1-2-5-3-7(10)9-4-6(5)8/h1,3-4H,(H,9,10)
InChIKeyOTUXNQKKPWGXJJ-UHFFFAOYSA-N
MW137.11 g/mol
LogP0.50
Rot. Bonds

About 4-ethynyl-5-fluoro-1H-pyridin-2-one

4-ethynyl-5-fluoro-1H-pyridin-2-one (PubChem CID 74892559) has the molecular formula C7H4FNO and a molecular weight of 137.11 g/mol. Its IUPAC name is 4-ethynyl-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethynyl-5-fluoro-1H-pyridin-2-one
PubChem CID74892559
Molecular FormulaC7H4FNO
Molecular Weight137.11 g/mol
Exact Mass137.03
IUPAC Name4-ethynyl-5-fluoro-1H-pyridin-2-one
SMILESC#Cc1cc(=O)[nH]cc1F
InChIInChI=1S/C7H4FNO/c1-2-5-3-7(10)9-4-6(5)8/h1,3-4H,(H,9,10)
InChIKeyOTUXNQKKPWGXJJ-UHFFFAOYSA-N
XLogP0.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-ethynyl-5-fluoro-1H-pyridin-2-one (CID 74892559) is 4-ethynyl-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-ethynyl-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-ethynyl-5-fluoro-1H-pyridin-2-one is C#Cc1cc(=O)[nH]cc1F.
What is the InChIKey of 4-ethynyl-5-fluoro-1H-pyridin-2-one?
The InChIKey is OTUXNQKKPWGXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO/c1-2-5-3-7(10)9-4-6(5)8/h1,3-4H,(H,9,10).
What are the key properties of 4-ethynyl-5-fluoro-1H-pyridin-2-one?
4-ethynyl-5-fluoro-1H-pyridin-2-one has a molecular weight of 137.11 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 74892559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).