5-ethyl-6-fluoro-1H-pyridin-2-one

C7H8FNO — CID 139396568

IUPAC5-ethyl-6-fluoro-1H-pyridin-2-one
SMILESCCc1ccc(=O)[nH]c1F
InChIInChI=1S/C7H8FNO/c1-2-5-3-4-6(10)9-7(5)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyWJWQIERWJCKZKI-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.08
Rot. Bonds1

About 5-ethyl-6-fluoro-1H-pyridin-2-one

5-ethyl-6-fluoro-1H-pyridin-2-one (PubChem CID 139396568) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-6-fluoro-1H-pyridin-2-one
PubChem CID139396568
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name5-ethyl-6-fluoro-1H-pyridin-2-one
SMILESCCc1ccc(=O)[nH]c1F
InChIInChI=1S/C7H8FNO/c1-2-5-3-4-6(10)9-7(5)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyWJWQIERWJCKZKI-UHFFFAOYSA-N
XLogP1.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-6-fluoro-1H-pyridin-2-one (CID 139396568) is 5-ethyl-6-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-6-fluoro-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-6-fluoro-1H-pyridin-2-one is CCc1ccc(=O)[nH]c1F.
What is the InChIKey of 5-ethyl-6-fluoro-1H-pyridin-2-one?
The InChIKey is WJWQIERWJCKZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-2-5-3-4-6(10)9-7(5)8/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 5-ethyl-6-fluoro-1H-pyridin-2-one?
5-ethyl-6-fluoro-1H-pyridin-2-one has a molecular weight of 141.14 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 139396568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).