2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride

C8H8ClF2NO4S — CID 118837893

IUPAC2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(OC)c(C(F)F)n1
InChIInChI=1S/C8H8ClF2NO4S/c1-15-5-3-4(17(9,13)14)7(16-2)6(12-5)8(10)11/h3,8H,1-2H3
InChIKeyHQBPQUXURCBQDI-UHFFFAOYSA-N
MW287.67 g/mol
LogP1.96
Rot. Bonds4

About 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride

2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride (PubChem CID 118837893) has the molecular formula C8H8ClF2NO4S and a molecular weight of 287.67 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
PubChem CID118837893
Molecular FormulaC8H8ClF2NO4S
Molecular Weight287.67 g/mol
Exact Mass286.98
IUPAC Name2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)c(OC)c(C(F)F)n1
InChIInChI=1S/C8H8ClF2NO4S/c1-15-5-3-4(17(9,13)14)7(16-2)6(12-5)8(10)11/h3,8H,1-2H3
InChIKeyHQBPQUXURCBQDI-UHFFFAOYSA-N
XLogP1.96
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 130074025
4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368
6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide
CID 130069045
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130074002
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-sulfonyl chloride
CID 118843442
6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride
CID 118849103
6-chloro-2-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130073999
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192
2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
CID 118849085
6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
CID 118800764

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride (CID 118837893) is 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride is COc1cc(S(=O)(=O)Cl)c(OC)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride?
The InChIKey is HQBPQUXURCBQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO4S/c1-15-5-3-4(17(9,13)14)7(16-2)6(12-5)8(10)11/h3,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride?
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride has a molecular weight of 287.67 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride is sourced from PubChem (CID 118837893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).