3,5-dichloropyridine;trifluoromethanesulfonic acid

C6H4Cl2F3NO3S — CID 171924151

IUPAC3,5-dichloropyridine;trifluoromethanesulfonic acid
SMILESClc1cncc(Cl)c1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C5H3Cl2N.CHF3O3S/c6-4-1-5(7)3-8-2-4;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7)
InChIKeyGOELYJNNZLOLLR-UHFFFAOYSA-N
MW298.07 g/mol
LogP2.78
Rot. Bonds

About 3,5-dichloropyridine;trifluoromethanesulfonic acid

3,5-dichloropyridine;trifluoromethanesulfonic acid (PubChem CID 171924151) has the molecular formula C6H4Cl2F3NO3S and a molecular weight of 298.07 g/mol. Its IUPAC name is 3,5-dichloropyridine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name3,5-dichloropyridine;trifluoromethanesulfonic acid
PubChem CID171924151
Molecular FormulaC6H4Cl2F3NO3S
Molecular Weight298.07 g/mol
Exact Mass296.92
IUPAC Name3,5-dichloropyridine;trifluoromethanesulfonic acid
SMILESClc1cncc(Cl)c1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C5H3Cl2N.CHF3O3S/c6-4-1-5(7)3-8-2-4;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7)
InChIKeyGOELYJNNZLOLLR-UHFFFAOYSA-N
XLogP2.78
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.07
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloropyridine;trifluoromethanesulfonic acid?
The IUPAC name of 3,5-dichloropyridine;trifluoromethanesulfonic acid (CID 171924151) is 3,5-dichloropyridine;trifluoromethanesulfonic acid.
What is the SMILES notation for 3,5-dichloropyridine;trifluoromethanesulfonic acid?
The canonical SMILES for 3,5-dichloropyridine;trifluoromethanesulfonic acid is Clc1cncc(Cl)c1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 3,5-dichloropyridine;trifluoromethanesulfonic acid?
The InChIKey is GOELYJNNZLOLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N.CHF3O3S/c6-4-1-5(7)3-8-2-4;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7).
What are the key properties of 3,5-dichloropyridine;trifluoromethanesulfonic acid?
3,5-dichloropyridine;trifluoromethanesulfonic acid has a molecular weight of 298.07 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloropyridine;trifluoromethanesulfonic acid is sourced from PubChem (CID 171924151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).