5-fluoro-3-methylidenepyridin-2-one

C6H4FNO — CID 72664331

IUPAC5-fluoro-3-methylidenepyridin-2-one
SMILESC=C1C=C(F)C=NC1=O
InChIInChI=1S/C6H4FNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2
InChIKeyWERWTIZKGVVEHJ-UHFFFAOYSA-N
MW125.10 g/mol
LogP1.01
Rot. Bonds

About 5-fluoro-3-methylidenepyridin-2-one

5-fluoro-3-methylidenepyridin-2-one (PubChem CID 72664331) has the molecular formula C6H4FNO and a molecular weight of 125.10 g/mol. Its IUPAC name is 5-fluoro-3-methylidenepyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-methylidenepyridin-2-one
PubChem CID72664331
Molecular FormulaC6H4FNO
Molecular Weight125.10 g/mol
Exact Mass125.03
IUPAC Name5-fluoro-3-methylidenepyridin-2-one
SMILESC=C1C=C(F)C=NC1=O
InChIInChI=1S/C6H4FNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2
InChIKeyWERWTIZKGVVEHJ-UHFFFAOYSA-N
XLogP1.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Carbonyl pyridone
CID 77520314
5-fluoro-3H-pyridin-2-one
CID 91171270
3-(Oxomethylidene)-5-(trifluoromethyl)pyridin-2-one
CID 73654729
5-Fluoro-3-(oxomethylidene)pyridin-2-one
CID 76225501
3-Methylidenepyridin-2-one
CID 18522756
3-Methyl-5-methylidenepyridin-2-one
CID 57823656
5-Methylidenepyridin-2-one
CID 74059266
3-Ethylidenepyridin-2-one
CID 76827562
5-Chloro-3-methylidenepyridin-2-one
CID 72729941
5-Methyl-3-(oxomethylidene)pyridin-2-one
CID 76845503
5-Bromo-3-methylidenepyridin-2-one
CID 77759531
3-Ethenylidenepyridin-2-one
CID 77788373

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylidenepyridin-2-one?
The IUPAC name of 5-fluoro-3-methylidenepyridin-2-one (CID 72664331) is 5-fluoro-3-methylidenepyridin-2-one.
What is the SMILES notation for 5-fluoro-3-methylidenepyridin-2-one?
The canonical SMILES for 5-fluoro-3-methylidenepyridin-2-one is C=C1C=C(F)C=NC1=O.
What is the InChIKey of 5-fluoro-3-methylidenepyridin-2-one?
The InChIKey is WERWTIZKGVVEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H2.
What are the key properties of 5-fluoro-3-methylidenepyridin-2-one?
5-fluoro-3-methylidenepyridin-2-one has a molecular weight of 125.10 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylidenepyridin-2-one is sourced from PubChem (CID 72664331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).