5-fluoro-3-sulfanyl-1H-pyridin-2-one

C5H4FNOS — CID 144564310

IUPAC5-fluoro-3-sulfanyl-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)cc1S
InChIInChI=1S/C5H4FNOS/c6-3-1-4(9)5(8)7-2-3/h1-2,9H,(H,7,8)
InChIKeyVCXVHXVUSQSFDS-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.80
Rot. Bonds

About 5-fluoro-3-sulfanyl-1H-pyridin-2-one

5-fluoro-3-sulfanyl-1H-pyridin-2-one (PubChem CID 144564310) has the molecular formula C5H4FNOS and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-fluoro-3-sulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-sulfanyl-1H-pyridin-2-one
PubChem CID144564310
Molecular FormulaC5H4FNOS
Molecular Weight145.16 g/mol
Exact Mass145.00
IUPAC Name5-fluoro-3-sulfanyl-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)cc1S
InChIInChI=1S/C5H4FNOS/c6-3-1-4(9)5(8)7-2-3/h1-2,9H,(H,7,8)
InChIKeyVCXVHXVUSQSFDS-UHFFFAOYSA-N
XLogP0.80
TPSA32.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-sulfanyl-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-sulfanyl-1H-pyridin-2-one (CID 144564310) is 5-fluoro-3-sulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-sulfanyl-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-sulfanyl-1H-pyridin-2-one is O=c1[nH]cc(F)cc1S.
What is the InChIKey of 5-fluoro-3-sulfanyl-1H-pyridin-2-one?
The InChIKey is VCXVHXVUSQSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNOS/c6-3-1-4(9)5(8)7-2-3/h1-2,9H,(H,7,8).
What are the key properties of 5-fluoro-3-sulfanyl-1H-pyridin-2-one?
5-fluoro-3-sulfanyl-1H-pyridin-2-one has a molecular weight of 145.16 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-sulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 144564310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).