3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride

C7H5BrClF2NO3S — CID 130069020

IUPAC3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
SMILESCOc1cnc(S(=O)(=O)Cl)c(Br)c1C(F)F
InChIInChI=1S/C7H5BrClF2NO3S/c1-15-3-2-12-7(16(9,13)14)5(8)4(3)6(10)11/h2,6H,1H3
InChIKeyXDSRGOHLHAWNSM-UHFFFAOYSA-N
MW336.54 g/mol
LogP2.72
Rot. Bonds3

About 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride

3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride (PubChem CID 130069020) has the molecular formula C7H5BrClF2NO3S and a molecular weight of 336.54 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
PubChem CID130069020
Molecular FormulaC7H5BrClF2NO3S
Molecular Weight336.54 g/mol
Exact Mass334.88
IUPAC Name3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
SMILESCOc1cnc(S(=O)(=O)Cl)c(Br)c1C(F)F
InChIInChI=1S/C7H5BrClF2NO3S/c1-15-3-2-12-7(16(9,13)14)5(8)4(3)6(10)11/h2,6H,1H3
InChIKeyXDSRGOHLHAWNSM-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

2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804
4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 118822917
4-bromo-5-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 118828945
5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 131454528
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069001
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
5-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonyl chloride
CID 130069032
4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
CID 118852049
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride?
The IUPAC name of 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride (CID 130069020) is 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride is COc1cnc(S(=O)(=O)Cl)c(Br)c1C(F)F.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride?
The InChIKey is XDSRGOHLHAWNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO3S/c1-15-3-2-12-7(16(9,13)14)5(8)4(3)6(10)11/h2,6H,1H3.
What are the key properties of 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride?
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-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 3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 130069020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).