3-fluoro-3H-pyridine-2-thione

C5H4FNS — CID 74019610

IUPAC3-fluoro-3H-pyridine-2-thione
SMILESFC1C=CC=NC1=S
InChIInChI=1S/C5H4FNS/c6-4-2-1-3-7-5(4)8/h1-4H
InChIKeyNPYOXZURZIISGL-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.29
Rot. Bonds

About 3-fluoro-3H-pyridine-2-thione

3-fluoro-3H-pyridine-2-thione (PubChem CID 74019610) has the molecular formula C5H4FNS and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-fluoro-3H-pyridine-2-thione.

Molecular Properties

Compound Name3-fluoro-3H-pyridine-2-thione
PubChem CID74019610
Molecular FormulaC5H4FNS
Molecular Weight129.16 g/mol
Exact Mass129.00
IUPAC Name3-fluoro-3H-pyridine-2-thione
SMILESFC1C=CC=NC1=S
InChIInChI=1S/C5H4FNS/c6-4-2-1-3-7-5(4)8/h1-4H
InChIKeyNPYOXZURZIISGL-UHFFFAOYSA-N
XLogP1.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-hydroxy-3H-pyridin-1-ium-2-thione
CID 177692708
Pyridine-3(2H)-thione
CID 13507521
Pyridine-2(3H)-thione
CID 14762675
Dithionopyridine
CID 20232710
2-Fluoro-2,3-dihydropyridine
CID 54085820
3-Fluoro-2,3-dihydropyridine
CID 68024004
3,3-difluoro-2H-pyridine
CID 90015074
2-Mercapto(thioxo)pyridine
CID 146171588
3H-pyridine-6-thione
CID 20593761
3,6-Dihydroazepine-2-thione
CID 57200057
2-sulfinyl-3H-pyridine
CID 88135452
2,3-Dihydropyridine-2-thiol
CID 91440046

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3H-pyridine-2-thione?
The IUPAC name of 3-fluoro-3H-pyridine-2-thione (CID 74019610) is 3-fluoro-3H-pyridine-2-thione.
What is the SMILES notation for 3-fluoro-3H-pyridine-2-thione?
The canonical SMILES for 3-fluoro-3H-pyridine-2-thione is FC1C=CC=NC1=S.
What is the InChIKey of 3-fluoro-3H-pyridine-2-thione?
The InChIKey is NPYOXZURZIISGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNS/c6-4-2-1-3-7-5(4)8/h1-4H.
What are the key properties of 3-fluoro-3H-pyridine-2-thione?
3-fluoro-3H-pyridine-2-thione has a molecular weight of 129.16 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3H-pyridine-2-thione is sourced from PubChem (CID 74019610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).