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

C6H2BrClF3NO2S — CID 130109897

IUPAC6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Br)c(C(F)F)c1F
InChIInChI=1S/C6H2BrClF3NO2S/c7-5-3(6(10)11)4(9)2(1-12-5)15(8,13)14/h1,6H
InChIKeyKXEHZINQMWBQBW-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.85
Rot. Bonds2

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

6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride (PubChem CID 130109897) has the molecular formula C6H2BrClF3NO2S and a molecular weight of 324.51 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
PubChem CID130109897
Molecular FormulaC6H2BrClF3NO2S
Molecular Weight324.51 g/mol
Exact Mass322.86
IUPAC Name6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Br)c(C(F)F)c1F
InChIInChI=1S/C6H2BrClF3NO2S/c7-5-3(6(10)11)4(9)2(1-12-5)15(8,13)14/h1,6H
InChIKeyKXEHZINQMWBQBW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
2-bromo-3-(difluoromethyl)-4-fluoro-5-methylpyridine
CID 119002035
6-bromo-4-chloro-5-(difluoromethyl)pyridine-3-sulfonamide
CID 119001281
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine
CID 119010566
4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 118828945
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
2-bromo-3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 130109576
5-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130076358
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride?
The IUPAC name of 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride (CID 130109897) is 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnc(Br)c(C(F)F)c1F.
What is the InChIKey of 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride?
The InChIKey is KXEHZINQMWBQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF3NO2S/c7-5-3(6(10)11)4(9)2(1-12-5)15(8,13)14/h1,6H.
What are the key properties of 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride?
6-bromo-5-(difluoromethyl)-4-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 6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride is sourced from PubChem (CID 130109897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).