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

C7H5BrClF2NO2S — CID 118817278

IUPAC4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)c(Br)c1C(F)F
InChIInChI=1S/C7H5BrClF2NO2S/c1-3-5(7(10)11)6(8)4(2-12-3)15(9,13)14/h2,7H,1H3
InChIKeyUTBVLEFHYXNAKB-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.02
Rot. Bonds2

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

4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride (PubChem CID 118817278) has the molecular formula C7H5BrClF2NO2S and a molecular weight of 320.54 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
PubChem CID118817278
Molecular FormulaC7H5BrClF2NO2S
Molecular Weight320.54 g/mol
Exact Mass318.89
IUPAC Name4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)c(Br)c1C(F)F
InChIInChI=1S/C7H5BrClF2NO2S/c1-3-5(7(10)11)6(8)4(2-12-3)15(9,13)14/h2,7H,1H3
InChIKeyUTBVLEFHYXNAKB-UHFFFAOYSA-N
XLogP3.02
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571
4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 118828945
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonamide
CID 130074592
4-bromo-6-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822045
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
5-(difluoromethyl)-4,6-difluoropyridine-3-sulfonyl chloride
CID 130099934
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130069153
3,5-dibromo-4-(difluoromethyl)-2-methylpyridine
CID 130098940
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride (CID 118817278) is 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride is Cc1ncc(S(=O)(=O)Cl)c(Br)c1C(F)F.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride?
The InChIKey is UTBVLEFHYXNAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO2S/c1-3-5(7(10)11)6(8)4(2-12-3)15(9,13)14/h2,7H,1H3.
What are the key properties of 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride?
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride has a molecular weight of 320.54 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 118817278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).