2-chloro-5-(trifluoromethylsulfanyl)pyridine

C6H3ClF3NS — CID 75406410

IUPAC2-chloro-5-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1ccc(Cl)nc1
InChIInChI=1S/C6H3ClF3NS/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H
InChIKeyVBFOEFVOLUTFDF-UHFFFAOYSA-N
MW213.61 g/mol
LogP3.35
Rot. Bonds1

About 2-chloro-5-(trifluoromethylsulfanyl)pyridine

2-chloro-5-(trifluoromethylsulfanyl)pyridine (PubChem CID 75406410) has the molecular formula C6H3ClF3NS and a molecular weight of 213.61 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethylsulfanyl)pyridine
PubChem CID75406410
Molecular FormulaC6H3ClF3NS
Molecular Weight213.61 g/mol
Exact Mass212.96
IUPAC Name2-chloro-5-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1ccc(Cl)nc1
InChIInChI=1S/C6H3ClF3NS/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H
InChIKeyVBFOEFVOLUTFDF-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.61
LogP ≤ 53.35
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-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 2-chloro-5-(trifluoromethylsulfanyl)pyridine (CID 75406410) is 2-chloro-5-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 2-chloro-5-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 2-chloro-5-(trifluoromethylsulfanyl)pyridine is FC(F)(F)Sc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(trifluoromethylsulfanyl)pyridine?
The InChIKey is VBFOEFVOLUTFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NS/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H.
What are the key properties of 2-chloro-5-(trifluoromethylsulfanyl)pyridine?
2-chloro-5-(trifluoromethylsulfanyl)pyridine has a molecular weight of 213.61 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 75406410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).