6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride

C7H6ClF2NO4S — CID 118849103

IUPAC6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)cnc(C(F)F)c1O
InChIInChI=1S/C7H6ClF2NO4S/c1-15-6-3(16(8,13)14)2-11-4(5(6)12)7(9)10/h2,7,12H,1H3
InChIKeyWFJKLQDHVFRJGL-UHFFFAOYSA-N
MW273.64 g/mol
LogP1.66
Rot. Bonds3

About 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride

6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride (PubChem CID 118849103) has the molecular formula C7H6ClF2NO4S and a molecular weight of 273.64 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride
PubChem CID118849103
Molecular FormulaC7H6ClF2NO4S
Molecular Weight273.64 g/mol
Exact Mass272.97
IUPAC Name6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)cnc(C(F)F)c1O
InChIInChI=1S/C7H6ClF2NO4S/c1-15-6-3(16(8,13)14)2-11-4(5(6)12)7(9)10/h2,7,12H,1H3
InChIKeyWFJKLQDHVFRJGL-UHFFFAOYSA-N
XLogP1.66
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
CID 130083326
5-chloro-6-(difluoromethyl)-4-methoxypyridine-3-sulfonamide
CID 134686410
2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
CID 118849085
5-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonyl chloride
CID 130069032
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 118815341
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
5-chloro-4-methoxypyridine-3-sulfonyl chloride
CID 130980038
5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
2-(difluoromethyl)-4-fluoro-5-methoxypyridin-3-ol
CID 130079248

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride (CID 118849103) is 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride is COc1c(S(=O)(=O)Cl)cnc(C(F)F)c1O.
What is the InChIKey of 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride?
The InChIKey is WFJKLQDHVFRJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO4S/c1-15-6-3(16(8,13)14)2-11-4(5(6)12)7(9)10/h2,7,12H,1H3.
What are the key properties of 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride?
6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride has a molecular weight of 273.64 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 118849103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).