2-(2-fluoroethyl)-3H-pyridine-4-thione

C7H8FNS — CID 152540784

IUPAC2-(2-fluoroethyl)-3H-pyridine-4-thione
SMILESFCCC1=NC=CC(=S)C1
InChIInChI=1S/C7H8FNS/c8-3-1-6-5-7(10)2-4-9-6/h2,4H,1,3,5H2
InChIKeyYLMRIWUHUNCOTP-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.07
Rot. Bonds2

About 2-(2-fluoroethyl)-3H-pyridine-4-thione

2-(2-fluoroethyl)-3H-pyridine-4-thione (PubChem CID 152540784) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-3H-pyridine-4-thione.

Molecular Properties

Compound Name2-(2-fluoroethyl)-3H-pyridine-4-thione
PubChem CID152540784
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name2-(2-fluoroethyl)-3H-pyridine-4-thione
SMILESFCCC1=NC=CC(=S)C1
InChIInChI=1S/C7H8FNS/c8-3-1-6-5-7(10)2-4-9-6/h2,4H,1,3,5H2
InChIKeyYLMRIWUHUNCOTP-UHFFFAOYSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(2-fluoroethyl)-3H-pyridine-4-thione with MolForge

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

Launch Full Analysis

Related Compounds

2-(Fluoromethyl)-3,4-dihydropyridine
CID 166907541
2-Ethyl-3-fluoro-3,4-dihydropyridine
CID 142996668
4(3H)-Pyridinethione, 2-methyl-
CID 45116200
2-methyl-4H-pyridine-3-thione
CID 88475745

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-3H-pyridine-4-thione?
The IUPAC name of 2-(2-fluoroethyl)-3H-pyridine-4-thione (CID 152540784) is 2-(2-fluoroethyl)-3H-pyridine-4-thione.
What is the SMILES notation for 2-(2-fluoroethyl)-3H-pyridine-4-thione?
The canonical SMILES for 2-(2-fluoroethyl)-3H-pyridine-4-thione is FCCC1=NC=CC(=S)C1.
What is the InChIKey of 2-(2-fluoroethyl)-3H-pyridine-4-thione?
The InChIKey is YLMRIWUHUNCOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c8-3-1-6-5-7(10)2-4-9-6/h2,4H,1,3,5H2.
What are the key properties of 2-(2-fluoroethyl)-3H-pyridine-4-thione?
2-(2-fluoroethyl)-3H-pyridine-4-thione has a molecular weight of 157.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-3H-pyridine-4-thione is sourced from PubChem (CID 152540784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).