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

C5H3ClFNS — CID 131117008

IUPAC4-chloro-5-fluoro-1H-pyridine-2-thione
SMILESFc1c[nH]c(=S)cc1Cl
InChIInChI=1S/C5H3ClFNS/c6-3-1-5(9)8-2-4(3)7/h1-2H,(H,8,9)
InChIKeyWJFYMPLSRGZXKX-UHFFFAOYSA-N
MW163.60 g/mol
LogP2.54
Rot. Bonds

About 4-chloro-5-fluoro-1H-pyridine-2-thione

4-chloro-5-fluoro-1H-pyridine-2-thione (PubChem CID 131117008) has the molecular formula C5H3ClFNS and a molecular weight of 163.60 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-chloro-5-fluoro-1H-pyridine-2-thione
PubChem CID131117008
Molecular FormulaC5H3ClFNS
Molecular Weight163.60 g/mol
Exact Mass162.97
IUPAC Name4-chloro-5-fluoro-1H-pyridine-2-thione
SMILESFc1c[nH]c(=S)cc1Cl
InChIInChI=1S/C5H3ClFNS/c6-3-1-5(9)8-2-4(3)7/h1-2H,(H,8,9)
InChIKeyWJFYMPLSRGZXKX-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'}

Analyze 4-chloro-5-fluoro-1H-pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1H-pyridine-2-thione?
The IUPAC name of 4-chloro-5-fluoro-1H-pyridine-2-thione (CID 131117008) is 4-chloro-5-fluoro-1H-pyridine-2-thione.
What is the SMILES notation for 4-chloro-5-fluoro-1H-pyridine-2-thione?
The canonical SMILES for 4-chloro-5-fluoro-1H-pyridine-2-thione is Fc1c[nH]c(=S)cc1Cl.
What is the InChIKey of 4-chloro-5-fluoro-1H-pyridine-2-thione?
The InChIKey is WJFYMPLSRGZXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFNS/c6-3-1-5(9)8-2-4(3)7/h1-2H,(H,8,9).
What are the key properties of 4-chloro-5-fluoro-1H-pyridine-2-thione?
4-chloro-5-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 4-chloro-5-fluoro-1H-pyridine-2-thione is sourced from PubChem (CID 131117008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).