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

C7H4FNO — CID 74892561

IUPAC4-ethynyl-3-fluoro-1H-pyridin-2-one
SMILESC#Cc1cc[nH]c(=O)c1F
InChIInChI=1S/C7H4FNO/c1-2-5-3-4-9-7(10)6(5)8/h1,3-4H,(H,9,10)
InChIKeyZMCVCYGEYZJJQI-UHFFFAOYSA-N
MW137.11 g/mol
LogP0.50
Rot. Bonds

About 4-ethynyl-3-fluoro-1H-pyridin-2-one

4-ethynyl-3-fluoro-1H-pyridin-2-one (PubChem CID 74892561) has the molecular formula C7H4FNO and a molecular weight of 137.11 g/mol. Its IUPAC name is 4-ethynyl-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethynyl-3-fluoro-1H-pyridin-2-one
PubChem CID74892561
Molecular FormulaC7H4FNO
Molecular Weight137.11 g/mol
Exact Mass137.03
IUPAC Name4-ethynyl-3-fluoro-1H-pyridin-2-one
SMILESC#Cc1cc[nH]c(=O)c1F
InChIInChI=1S/C7H4FNO/c1-2-5-3-4-9-7(10)6(5)8/h1,3-4H,(H,9,10)
InChIKeyZMCVCYGEYZJJQI-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-Hydroxy-4-(trifluoromethyl)pyridine
CID 2775130
3-Fluoro-4-(trifluoromethyl)pyridin-2-ol
CID 53435090
3-fluoro-4-methylpyridin-2(1H)-one
CID 45116214
4-Ethynylpyridin-2(1H)-one
CID 57416823
4-(Difluoromethyl)pyridin-2-ol
CID 84762854
3-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449842
4-(Difluoromethyl)-3-fluoro-2-hydroxypyridine
CID 130096209
5-Ethynyl-3-fluoropyridin-2-ol
CID 74892548
4-ethynyl-5-fluoro-1H-pyridin-2-one
CID 74892559
3-Ethynyl-5-fluoropyridin-2-ol
CID 74892629
4-Ethenyl-5-fluoro-1,2-dihydropyridin-2-one
CID 74892666
4-Ethenyl-3-fluoro-1,2-dihydropyridin-2-one
CID 74892668

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-ethynyl-3-fluoro-1H-pyridin-2-one (CID 74892561) is 4-ethynyl-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-ethynyl-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-ethynyl-3-fluoro-1H-pyridin-2-one is C#Cc1cc[nH]c(=O)c1F.
What is the InChIKey of 4-ethynyl-3-fluoro-1H-pyridin-2-one?
The InChIKey is ZMCVCYGEYZJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO/c1-2-5-3-4-9-7(10)6(5)8/h1,3-4H,(H,9,10).
What are the key properties of 4-ethynyl-3-fluoro-1H-pyridin-2-one?
4-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 4-ethynyl-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 74892561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).