6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride

C6H4ClF2NO3S — CID 118809670

IUPAC6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(O)c(C(F)F)n1
InChIInChI=1S/C6H4ClF2NO3S/c7-14(12,13)4-2-1-3(11)5(10-4)6(8)9/h1-2,6,11H
InChIKeyFUSFBZLVWDVZBB-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.65
Rot. Bonds2

About 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride

6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride (PubChem CID 118809670) has the molecular formula C6H4ClF2NO3S and a molecular weight of 243.62 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride
PubChem CID118809670
Molecular FormulaC6H4ClF2NO3S
Molecular Weight243.62 g/mol
Exact Mass242.96
IUPAC Name6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(O)c(C(F)F)n1
InChIInChI=1S/C6H4ClF2NO3S/c7-14(12,13)4-2-1-3(11)5(10-4)6(8)9/h1-2,6,11H
InChIKeyFUSFBZLVWDVZBB-UHFFFAOYSA-N
XLogP1.65
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride (CID 118809670) is 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(O)c(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride?
The InChIKey is FUSFBZLVWDVZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO3S/c7-14(12,13)4-2-1-3(11)5(10-4)6(8)9/h1-2,6,11H.
What are the key properties of 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride?
6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride has a molecular weight of 243.62 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-hydroxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 118809670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).