5-ethynyl-3-fluoro-1H-pyridin-2-one

C7H4FNO — CID 74892548

IUPAC5-ethynyl-3-fluoro-1H-pyridin-2-one
SMILESC#Cc1c[nH]c(=O)c(F)c1
InChIInChI=1S/C7H4FNO/c1-2-5-3-6(8)7(10)9-4-5/h1,3-4H,(H,9,10)
InChIKeyZKXNAGKCLYWZRA-UHFFFAOYSA-N
MW137.11 g/mol
LogP0.50
Rot. Bonds

About 5-ethynyl-3-fluoro-1H-pyridin-2-one

5-ethynyl-3-fluoro-1H-pyridin-2-one (PubChem CID 74892548) has the molecular formula C7H4FNO and a molecular weight of 137.11 g/mol. Its IUPAC name is 5-ethynyl-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethynyl-3-fluoro-1H-pyridin-2-one
PubChem CID74892548
Molecular FormulaC7H4FNO
Molecular Weight137.11 g/mol
Exact Mass137.03
IUPAC Name5-ethynyl-3-fluoro-1H-pyridin-2-one
SMILESC#Cc1c[nH]c(=O)c(F)c1
InChIInChI=1S/C7H4FNO/c1-2-5-3-6(8)7(10)9-4-5/h1,3-4H,(H,9,10)
InChIKeyZKXNAGKCLYWZRA-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'}

Analyze 5-ethynyl-3-fluoro-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 5-ethynyl-3-fluoro-1H-pyridin-2-one (CID 74892548) is 5-ethynyl-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 5-ethynyl-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 5-ethynyl-3-fluoro-1H-pyridin-2-one is C#Cc1c[nH]c(=O)c(F)c1.
What is the InChIKey of 5-ethynyl-3-fluoro-1H-pyridin-2-one?
The InChIKey is ZKXNAGKCLYWZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO/c1-2-5-3-6(8)7(10)9-4-5/h1,3-4H,(H,9,10).
What are the key properties of 5-ethynyl-3-fluoro-1H-pyridin-2-one?
5-ethynyl-3-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 5-ethynyl-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 74892548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).