5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one

C8H6FNO — CID 155204835

IUPAC5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one
SMILESCC#Cc1cc(F)c[nH]c1=O
InChIInChI=1S/C8H6FNO/c1-2-3-6-4-7(9)5-10-8(6)11/h4-5H,1H3,(H,10,11)
InChIKeyKZNJFHQEIRQUEI-UHFFFAOYSA-N
MW151.14 g/mol
LogP0.89
Rot. Bonds

About 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one

5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one (PubChem CID 155204835) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one
PubChem CID155204835
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one
SMILESCC#Cc1cc(F)c[nH]c1=O
InChIInChI=1S/C8H6FNO/c1-2-3-6-4-7(9)5-10-8(6)11/h4-5H,1H3,(H,10,11)
InChIKeyKZNJFHQEIRQUEI-UHFFFAOYSA-N
XLogP0.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 50.89
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 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one (CID 155204835) is 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one is CC#Cc1cc(F)c[nH]c1=O.
What is the InChIKey of 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one?
The InChIKey is KZNJFHQEIRQUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-2-3-6-4-7(9)5-10-8(6)11/h4-5H,1H3,(H,10,11).
What are the key properties of 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one?
5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one has a molecular weight of 151.14 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one is sourced from PubChem (CID 155204835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).