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

C7H5BrClF2NO3S — CID 130068997

IUPAC6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
SMILESCOc1c(C(F)F)cc(Br)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClF2NO3S/c1-15-5-3(6(10)11)2-4(8)12-7(5)16(9,13)14/h2,6H,1H3
InChIKeyPRWSJDYXEMXOOT-UHFFFAOYSA-N
MW336.54 g/mol
LogP2.72
Rot. Bonds3

About 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride

6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride (PubChem CID 130068997) has the molecular formula C7H5BrClF2NO3S and a molecular weight of 336.54 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
PubChem CID130068997
Molecular FormulaC7H5BrClF2NO3S
Molecular Weight336.54 g/mol
Exact Mass334.88
IUPAC Name6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
SMILESCOc1c(C(F)F)cc(Br)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClF2NO3S/c1-15-5-3(6(10)11)2-4(8)12-7(5)16(9,13)14/h2,6H,1H3
InChIKeyPRWSJDYXEMXOOT-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

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130068995
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069001
4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride
CID 118824318
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonyl chloride
CID 130069589
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 130069585
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
CID 118800764
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 130069038
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671675
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride?
The IUPAC name of 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride (CID 130068997) is 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride is COc1c(C(F)F)cc(Br)nc1S(=O)(=O)Cl.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride?
The InChIKey is PRWSJDYXEMXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO3S/c1-15-5-3(6(10)11)2-4(8)12-7(5)16(9,13)14/h2,6H,1H3.
What are the key properties of 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride?
6-bromo-4-(difluoromethyl)-3-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 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 130068997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).