2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

C6H2Cl2F3NO2S — CID 57361942

IUPAC2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C6H2Cl2F3NO2S/c7-5-4(15(8,13)14)1-3(2-12-5)6(9,10)11/h1-2H
InChIKeyPKOSYNUDTZKZAU-UHFFFAOYSA-N
MW280.05 g/mol
LogP2.68
Rot. Bonds1

About 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride

2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 57361942) has the molecular formula C6H2Cl2F3NO2S and a molecular weight of 280.05 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID57361942
Molecular FormulaC6H2Cl2F3NO2S
Molecular Weight280.05 g/mol
Exact Mass278.91
IUPAC Name2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C6H2Cl2F3NO2S/c7-5-4(15(8,13)14)1-3(2-12-5)6(9,10)11/h1-2H
InChIKeyPKOSYNUDTZKZAU-UHFFFAOYSA-N
XLogP2.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride (CID 57361942) is 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is PKOSYNUDTZKZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3NO2S/c7-5-4(15(8,13)14)1-3(2-12-5)6(9,10)11/h1-2H.
What are the key properties of 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride?
2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride has a molecular weight of 280.05 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 57361942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).