6-(trifluoromethoxy)pyridine-3-sulfonyl chloride

C6H3ClF3NO3S — CID 118804031

IUPAC6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC(F)(F)F)nc1
InChIInChI=1S/C6H3ClF3NO3S/c7-15(12,13)4-1-2-5(11-3-4)14-6(8,9)10/h1-3H
InChIKeyMCKLIQIOCWUPOO-UHFFFAOYSA-N
MW261.61 g/mol
LogP1.91
Rot. Bonds2

About 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride

6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (PubChem CID 118804031) has the molecular formula C6H3ClF3NO3S and a molecular weight of 261.61 g/mol. Its IUPAC name is 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
PubChem CID118804031
Molecular FormulaC6H3ClF3NO3S
Molecular Weight261.61 g/mol
Exact Mass260.95
IUPAC Name6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC(F)(F)F)nc1
InChIInChI=1S/C6H3ClF3NO3S/c7-15(12,13)4-1-2-5(11-3-4)14-6(8,9)10/h1-3H
InChIKeyMCKLIQIOCWUPOO-UHFFFAOYSA-N
XLogP1.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.61
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride (CID 118804031) is 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc(OC(F)(F)F)nc1.
What is the InChIKey of 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
The InChIKey is MCKLIQIOCWUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO3S/c7-15(12,13)4-1-2-5(11-3-4)14-6(8,9)10/h1-3H.
What are the key properties of 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride?
6-(trifluoromethoxy)pyridine-3-sulfonyl chloride has a molecular weight of 261.61 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118804031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).