5-fluoro-4-methylidene-1H-pyridin-2-one

C6H6FNO — CID 58076215

IUPAC5-fluoro-4-methylidene-1H-pyridin-2-one
SMILESC=C1CC(=O)NC=C1F
InChIInChI=1S/C6H6FNO/c1-4-2-6(9)8-3-5(4)7/h3H,1-2H2,(H,8,9)
InChIKeyLVMYCBPZLWREMA-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.87
Rot. Bonds

About 5-fluoro-4-methylidene-1H-pyridin-2-one

5-fluoro-4-methylidene-1H-pyridin-2-one (PubChem CID 58076215) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 5-fluoro-4-methylidene-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-methylidene-1H-pyridin-2-one
PubChem CID58076215
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name5-fluoro-4-methylidene-1H-pyridin-2-one
SMILESC=C1CC(=O)NC=C1F
InChIInChI=1S/C6H6FNO/c1-4-2-6(9)8-3-5(4)7/h3H,1-2H2,(H,8,9)
InChIKeyLVMYCBPZLWREMA-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methylidene-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-4-methylidene-1H-pyridin-2-one (CID 58076215) is 5-fluoro-4-methylidene-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-methylidene-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-4-methylidene-1H-pyridin-2-one is C=C1CC(=O)NC=C1F.
What is the InChIKey of 5-fluoro-4-methylidene-1H-pyridin-2-one?
The InChIKey is LVMYCBPZLWREMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-4-2-6(9)8-3-5(4)7/h3H,1-2H2,(H,8,9).
What are the key properties of 5-fluoro-4-methylidene-1H-pyridin-2-one?
5-fluoro-4-methylidene-1H-pyridin-2-one has a molecular weight of 127.12 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methylidene-1H-pyridin-2-one is sourced from PubChem (CID 58076215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).