4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride

C6H2BrClF3NO2S — CID 118817690

IUPAC4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(C(F)F)c(F)c1Br
InChIInChI=1S/C6H2BrClF3NO2S/c7-3-2(15(8,13)14)1-12-5(4(3)9)6(10)11/h1,6H
InChIKeyGWYUKJNMQUDHAV-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.85
Rot. Bonds2

About 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride

4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride (PubChem CID 118817690) has the molecular formula C6H2BrClF3NO2S and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
PubChem CID118817690
Molecular FormulaC6H2BrClF3NO2S
Molecular Weight324.51 g/mol
Exact Mass322.86
IUPAC Name4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(C(F)F)c(F)c1Br
InChIInChI=1S/C6H2BrClF3NO2S/c7-3-2(15(8,13)14)1-12-5(4(3)9)6(10)11/h1,6H
InChIKeyGWYUKJNMQUDHAV-UHFFFAOYSA-N
XLogP2.85
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130076358
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
5-chloro-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130095757
4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 118828945
6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride
CID 118849103
2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118832269
5-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130095356
6-(difluoromethyl)-5-iodo-4-nitropyridine-3-sulfonyl chloride
CID 118815364
5-(aminomethyl)-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 134664079
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride?
The IUPAC name of 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride (CID 118817690) is 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnc(C(F)F)c(F)c1Br.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride?
The InChIKey is GWYUKJNMQUDHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF3NO2S/c7-3-2(15(8,13)14)1-12-5(4(3)9)6(10)11/h1,6H.
What are the key properties of 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride?
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride has a molecular weight of 324.51 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride is sourced from PubChem (CID 118817690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).