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

C7H5ClF3NO2S — CID 118823664

IUPAC4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
SMILESCc1ncc(F)c(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO2S/c1-3-6(15(8,13)14)5(7(10)11)4(9)2-12-3/h2,7H,1H3
InChIKeyWHRGXRNKXXBECX-UHFFFAOYSA-N
MW259.64 g/mol
LogP2.39
Rot. Bonds2

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

4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride (PubChem CID 118823664) has the molecular formula C7H5ClF3NO2S and a molecular weight of 259.64 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
PubChem CID118823664
Molecular FormulaC7H5ClF3NO2S
Molecular Weight259.64 g/mol
Exact Mass258.97
IUPAC Name4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
SMILESCc1ncc(F)c(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO2S/c1-3-6(15(8,13)14)5(7(10)11)4(9)2-12-3/h2,7H,1H3
InChIKeyWHRGXRNKXXBECX-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

4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549
2-(difluoromethyl)-5-fluoro-4-methylpyridine-3-sulfonyl chloride
CID 118837859
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572
5-fluoro-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131492748
3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
CID 130088007
5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130108482
4-(difluoromethyl)-2,5-difluoropyridine-3-carbaldehyde
CID 119011555
4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118852230
3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130096577

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride (CID 118823664) is 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride is Cc1ncc(F)c(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride?
The InChIKey is WHRGXRNKXXBECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2S/c1-3-6(15(8,13)14)5(7(10)11)4(9)2-12-3/h2,7H,1H3.
What are the key properties of 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride?
4-(difluoromethyl)-5-fluoro-2-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 4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 118823664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).