2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite

C7H3FINOS — CID 142577931

IUPAC2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite
SMILESO=c1[nH]cc(F)cc1C#CSI
InChIInChI=1S/C7H3FINOS/c8-6-3-5(1-2-12-9)7(11)10-4-6/h3-4H,(H,10,11)
InChIKeyBCGIFBIQDKKNLG-UHFFFAOYSA-N
MW295.08 g/mol
LogP1.91
Rot. Bonds

About 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite

2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite (PubChem CID 142577931) has the molecular formula C7H3FINOS and a molecular weight of 295.08 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite
PubChem CID142577931
Molecular FormulaC7H3FINOS
Molecular Weight295.08 g/mol
Exact Mass294.90
IUPAC Name2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite
SMILESO=c1[nH]cc(F)cc1C#CSI
InChIInChI=1S/C7H3FINOS/c8-6-3-5(1-2-12-9)7(11)10-4-6/h3-4H,(H,10,11)
InChIKeyBCGIFBIQDKKNLG-UHFFFAOYSA-N
XLogP1.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one
CID 155204835
3-Ethynyl-5-fluoropyridin-2-ol
CID 74892629

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite?
The IUPAC name of 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite (CID 142577931) is 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite.
What is the SMILES notation for 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite?
The canonical SMILES for 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite is O=c1[nH]cc(F)cc1C#CSI.
What is the InChIKey of 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite?
The InChIKey is BCGIFBIQDKKNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FINOS/c8-6-3-5(1-2-12-9)7(11)10-4-6/h3-4H,(H,10,11).
What are the key properties of 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite?
2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite has a molecular weight of 295.08 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-1H-pyridin-3-yl)ethynyl thiohypoiodite is sourced from PubChem (CID 142577931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).