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

C7H5BrClF2NO3S — CID 118828945

IUPAC4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
SMILESCOc1ncc(S(=O)(=O)Cl)c(Br)c1C(F)F
InChIInChI=1S/C7H5BrClF2NO3S/c1-15-7-4(6(10)11)5(8)3(2-12-7)16(9,13)14/h2,6H,1H3
InChIKeyUITANEKISPCSNW-UHFFFAOYSA-N
MW336.54 g/mol
LogP2.72
Rot. Bonds3

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

4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride (PubChem CID 118828945) has the molecular formula C7H5BrClF2NO3S and a molecular weight of 336.54 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
PubChem CID118828945
Molecular FormulaC7H5BrClF2NO3S
Molecular Weight336.54 g/mol
Exact Mass334.88
IUPAC Name4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
SMILESCOc1ncc(S(=O)(=O)Cl)c(Br)c1C(F)F
InChIInChI=1S/C7H5BrClF2NO3S/c1-15-7-4(6(10)11)5(8)3(2-12-7)16(9,13)14/h2,6H,1H3
InChIKeyUITANEKISPCSNW-UHFFFAOYSA-N
XLogP2.72
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.54
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
3-(difluoromethyl)-2-methoxy-5-methylpyridine-4-sulfonyl chloride
CID 130088007
4-bromo-3-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 118817420
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804
4-bromo-5-chloro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118822883
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130074571
6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-sulfonyl chloride
CID 118849103
4-amino-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118817786

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride (CID 118828945) is 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride is COc1ncc(S(=O)(=O)Cl)c(Br)c1C(F)F.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
The InChIKey is UITANEKISPCSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO3S/c1-15-7-4(6(10)11)5(8)3(2-12-7)16(9,13)14/h2,6H,1H3.
What are the key properties of 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride?
4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride has a molecular weight of 336.54 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 118828945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).