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

C7H4FNO — CID 74892629

IUPAC3-ethynyl-5-fluoro-1H-pyridin-2-one
SMILESC#Cc1cc(F)c[nH]c1=O
InChIInChI=1S/C7H4FNO/c1-2-5-3-6(8)4-9-7(5)10/h1,3-4H,(H,9,10)
InChIKeyXSZNGUIIILWLRH-UHFFFAOYSA-N
MW137.11 g/mol
LogP0.50
Rot. Bonds

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

3-ethynyl-5-fluoro-1H-pyridin-2-one (PubChem CID 74892629) has the molecular formula C7H4FNO and a molecular weight of 137.11 g/mol. Its IUPAC name is 3-ethynyl-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethynyl-5-fluoro-1H-pyridin-2-one
PubChem CID74892629
Molecular FormulaC7H4FNO
Molecular Weight137.11 g/mol
Exact Mass137.03
IUPAC Name3-ethynyl-5-fluoro-1H-pyridin-2-one
SMILESC#Cc1cc(F)c[nH]c1=O
InChIInChI=1S/C7H4FNO/c1-2-5-3-6(8)4-9-7(5)10/h1,3-4H,(H,9,10)
InChIKeyXSZNGUIIILWLRH-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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Related Compounds

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
5-Fluoro-3-methylpyridin-2-OL
CID 60150205
3-(Difluoromethyl)pyridin-2(1H)-one
CID 70397555
3-(fluoromethyl)-1H-pyridin-2-one
CID 91151147
3-(Aminomethyl)-5-fluoropyridin-2(1H)-one
CID 105428317
5-Fluoro-1,2-dihydropyridine-3-carboxamide
CID 129192925
2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite
CID 142577931
5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one
CID 155204835
5-Ethynyl-3-fluoropyridin-2-ol
CID 74892548
4-ethynyl-5-fluoro-1H-pyridin-2-one
CID 74892559
2(1H)-Pyridinone, 4-ethynyl-3-fluoro-
CID 74892561
3-ethenyl-5-fluoro-1H-pyridin-2-one
CID 74892730

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-ethynyl-5-fluoro-1H-pyridin-2-one (CID 74892629) is 3-ethynyl-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-ethynyl-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-ethynyl-5-fluoro-1H-pyridin-2-one is C#Cc1cc(F)c[nH]c1=O.
What is the InChIKey of 3-ethynyl-5-fluoro-1H-pyridin-2-one?
The InChIKey is XSZNGUIIILWLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO/c1-2-5-3-6(8)4-9-7(5)10/h1,3-4H,(H,9,10).
What are the key properties of 3-ethynyl-5-fluoro-1H-pyridin-2-one?
3-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 3-ethynyl-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 74892629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).