2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride

C7H5ClF3NO2S — CID 118837859

IUPAC2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
SMILESCc1c(F)cnc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO2S/c1-3-4(9)2-12-5(7(10)11)6(3)15(8,13)14/h2,7H,1H3
InChIKeyLINXKHVBAVWJNA-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.39
Rot. Bonds2

About 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride

2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride (PubChem CID 118837859) has the molecular formula C7H5ClF3NO2S and a molecular weight of 259.64 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
PubChem CID118837859
Molecular FormulaC7H5ClF3NO2S
Molecular Weight259.64 g/mol
Exact Mass258.97
IUPAC Name2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
SMILESCc1c(F)cnc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO2S/c1-3-4(9)2-12-5(7(10)11)6(3)15(8,13)14/h2,7H,1H3
InChIKeyLINXKHVBAVWJNA-UHFFFAOYSA-N
XLogP2.39
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride
CID 118843440
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
CID 130079888
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
5-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonyl chloride
CID 130069032
2-(difluoromethyl)-5-hydroxy-4-iodopyridine-3-sulfonyl chloride
CID 118854704
3,5-difluoro-4-methylpyridine-2-sulfonyl chloride
CID 146421692
4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549
2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
CID 118849085
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-sulfonamide
CID 118820670
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride (CID 118837859) is 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride is Cc1c(F)cnc(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride?
The InChIKey is LINXKHVBAVWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2S/c1-3-4(9)2-12-5(7(10)11)6(3)15(8,13)14/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride?
2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride has a molecular weight of 259.64 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 118837859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).