5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine

C12H9ClFNS — CID 79733940

IUPAC5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H9ClFNS/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h2-7H,1H3
InChIKeyZMGONOCZVINANH-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.33
Rot. Bonds2

About 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine

5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine (PubChem CID 79733940) has the molecular formula C12H9ClFNS and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine
PubChem CID79733940
Molecular FormulaC12H9ClFNS
Molecular Weight253.73 g/mol
Exact Mass253.01
IUPAC Name5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H9ClFNS/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h2-7H,1H3
InChIKeyZMGONOCZVINANH-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine 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 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine (CID 79733940) is 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine is Cc1ccc(Sc2ncc(Cl)cc2F)cc1.
What is the InChIKey of 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine?
The InChIKey is ZMGONOCZVINANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNS/c1-8-2-4-10(5-3-8)16-12-11(14)6-9(13)7-15-12/h2-7H,1H3.
What are the key properties of 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine?
5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine has a molecular weight of 253.73 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine is sourced from PubChem (CID 79733940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).