3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride

C6H2Br2ClF2NO2S — CID 130099148

IUPAC3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(C(F)F)c(Br)cc1Br
InChIInChI=1S/C6H2Br2ClF2NO2S/c7-2-1-3(8)6(15(9,13)14)12-4(2)5(10)11/h1,5H
InChIKeyJJVMJNCHMWIKPY-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.47
Rot. Bonds2

About 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride

3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 130099148) has the molecular formula C6H2Br2ClF2NO2S and a molecular weight of 385.41 g/mol. Its IUPAC name is 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID130099148
Molecular FormulaC6H2Br2ClF2NO2S
Molecular Weight385.41 g/mol
Exact Mass382.78
IUPAC Name3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(C(F)F)c(Br)cc1Br
InChIInChI=1S/C6H2Br2ClF2NO2S/c7-2-1-3(8)6(15(9,13)14)12-4(2)5(10)11/h1,5H
InChIKeyJJVMJNCHMWIKPY-UHFFFAOYSA-N
XLogP3.47
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-sulfonyl chloride
CID 118799821
5-amino-4-bromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130102315
3-amino-5-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103729
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130077780
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonyl chloride
CID 130069589
4-amino-3-bromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118817000
5-bromo-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130107859
4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118811600
3-bromo-2-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130109594
2,5-dibromo-6-(difluoromethyl)pyridin-3-ol
CID 130098897

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride (CID 130099148) is 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1nc(C(F)F)c(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is JJVMJNCHMWIKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2ClF2NO2S/c7-2-1-3(8)6(15(9,13)14)12-4(2)5(10)11/h1,5H.
What are the key properties of 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride?
3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride has a molecular weight of 385.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 130099148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).