2-chloro-5-(difluoromethylsulfanyl)pyridine

C6H4ClF2NS — CID 132522704

IUPAC2-chloro-5-(difluoromethylsulfanyl)pyridine
SMILESFC(F)Sc1ccc(Cl)nc1
InChIInChI=1S/C6H4ClF2NS/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H
InChIKeyQZUMSGFOQTZOBO-UHFFFAOYSA-N
MW195.62 g/mol
LogP3.05
Rot. Bonds2

About 2-chloro-5-(difluoromethylsulfanyl)pyridine

2-chloro-5-(difluoromethylsulfanyl)pyridine (PubChem CID 132522704) has the molecular formula C6H4ClF2NS and a molecular weight of 195.62 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethylsulfanyl)pyridine
PubChem CID132522704
Molecular FormulaC6H4ClF2NS
Molecular Weight195.62 g/mol
Exact Mass194.97
IUPAC Name2-chloro-5-(difluoromethylsulfanyl)pyridine
SMILESFC(F)Sc1ccc(Cl)nc1
InChIInChI=1S/C6H4ClF2NS/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H
InChIKeyQZUMSGFOQTZOBO-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 53.05
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 2-chloro-5-(difluoromethylsulfanyl)pyridine?
The IUPAC name of 2-chloro-5-(difluoromethylsulfanyl)pyridine (CID 132522704) is 2-chloro-5-(difluoromethylsulfanyl)pyridine.
What is the SMILES notation for 2-chloro-5-(difluoromethylsulfanyl)pyridine?
The canonical SMILES for 2-chloro-5-(difluoromethylsulfanyl)pyridine is FC(F)Sc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(difluoromethylsulfanyl)pyridine?
The InChIKey is QZUMSGFOQTZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NS/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H.
What are the key properties of 2-chloro-5-(difluoromethylsulfanyl)pyridine?
2-chloro-5-(difluoromethylsulfanyl)pyridine has a molecular weight of 195.62 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(difluoromethylsulfanyl)pyridine is sourced from PubChem (CID 132522704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).