5-chloro-3-fluoro-1H-pyridine-2-thione

C5H3ClFNS — CID 79002421

IUPAC5-chloro-3-fluoro-1H-pyridine-2-thione
SMILESFc1cc(Cl)c[nH]c1=S
InChIInChI=1S/C5H3ClFNS/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyNTUTZQJBXWBSEM-UHFFFAOYSA-N
MW163.60 g/mol
LogP2.54
Rot. Bonds

About 5-chloro-3-fluoro-1H-pyridine-2-thione

5-chloro-3-fluoro-1H-pyridine-2-thione (PubChem CID 79002421) has the molecular formula C5H3ClFNS and a molecular weight of 163.60 g/mol. Its IUPAC name is 5-chloro-3-fluoro-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-chloro-3-fluoro-1H-pyridine-2-thione
PubChem CID79002421
Molecular FormulaC5H3ClFNS
Molecular Weight163.60 g/mol
Exact Mass162.97
IUPAC Name5-chloro-3-fluoro-1H-pyridine-2-thione
SMILESFc1cc(Cl)c[nH]c1=S
InChIInChI=1S/C5H3ClFNS/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyNTUTZQJBXWBSEM-UHFFFAOYSA-N
XLogP2.54
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-1H-pyridine-2-thione?
The IUPAC name of 5-chloro-3-fluoro-1H-pyridine-2-thione (CID 79002421) is 5-chloro-3-fluoro-1H-pyridine-2-thione.
What is the SMILES notation for 5-chloro-3-fluoro-1H-pyridine-2-thione?
The canonical SMILES for 5-chloro-3-fluoro-1H-pyridine-2-thione is Fc1cc(Cl)c[nH]c1=S.
What is the InChIKey of 5-chloro-3-fluoro-1H-pyridine-2-thione?
The InChIKey is NTUTZQJBXWBSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFNS/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9).
What are the key properties of 5-chloro-3-fluoro-1H-pyridine-2-thione?
5-chloro-3-fluoro-1H-pyridine-2-thione has a molecular weight of 163.60 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-1H-pyridine-2-thione is sourced from PubChem (CID 79002421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).