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

C12H9ClFNS — CID 12056908

IUPAC3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2cnc(F)c(Cl)c2)cc1
InChIInChI=1S/C12H9ClFNS/c1-8-2-4-9(5-3-8)16-10-6-11(13)12(14)15-7-10/h2-7H,1H3
InChIKeyAZJNLSFGPUASKH-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.33
Rot. Bonds2

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

3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine (PubChem CID 12056908) has the molecular formula C12H9ClFNS and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine
PubChem CID12056908
Molecular FormulaC12H9ClFNS
Molecular Weight253.73 g/mol
Exact Mass253.01
IUPAC Name3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine
SMILESCc1ccc(Sc2cnc(F)c(Cl)c2)cc1
InChIInChI=1S/C12H9ClFNS/c1-8-2-4-9(5-3-8)16-10-6-11(13)12(14)15-7-10/h2-7H,1H3
InChIKeyAZJNLSFGPUASKH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine?
The IUPAC name of 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine (CID 12056908) is 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine.
What is the SMILES notation for 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine?
The canonical SMILES for 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine is Cc1ccc(Sc2cnc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine?
The InChIKey is AZJNLSFGPUASKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNS/c1-8-2-4-9(5-3-8)16-10-6-11(13)12(14)15-7-10/h2-7H,1H3.
What are the key properties of 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine?
3-chloro-2-fluoro-5-(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 3-chloro-2-fluoro-5-(4-methylphenyl)sulfanylpyridine is sourced from PubChem (CID 12056908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).