6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride

C6H2Cl2F3NO4S — CID 119021551

IUPAC6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(Cl)c(O)cc1OC(F)(F)F
InChIInChI=1S/C6H2Cl2F3NO4S/c7-4-2(13)1-3(16-6(9,10)11)5(12-4)17(8,14)15/h1,13H
InChIKeyVDZCUWAZDDYURD-UHFFFAOYSA-N
MW312.05 g/mol
LogP2.27
Rot. Bonds2

About 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride

6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (PubChem CID 119021551) has the molecular formula C6H2Cl2F3NO4S and a molecular weight of 312.05 g/mol. Its IUPAC name is 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
PubChem CID119021551
Molecular FormulaC6H2Cl2F3NO4S
Molecular Weight312.05 g/mol
Exact Mass310.90
IUPAC Name6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(Cl)c(O)cc1OC(F)(F)F
InChIInChI=1S/C6H2Cl2F3NO4S/c7-4-2(13)1-3(16-6(9,10)11)5(12-4)17(8,14)15/h1,13H
InChIKeyVDZCUWAZDDYURD-UHFFFAOYSA-N
XLogP2.27
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The IUPAC name of 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride (CID 119021551) is 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The canonical SMILES for 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1nc(Cl)c(O)cc1OC(F)(F)F.
What is the InChIKey of 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
The InChIKey is VDZCUWAZDDYURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3NO4S/c7-4-2(13)1-3(16-6(9,10)11)5(12-4)17(8,14)15/h1,13H.
What are the key properties of 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride?
6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride has a molecular weight of 312.05 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-hydroxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 119021551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).