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

C7H5BrClF2NO2S — CID 130069585

IUPAC6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
SMILESCc1nc(Br)cc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClF2NO2S/c1-3-6(15(9,13)14)4(7(10)11)2-5(8)12-3/h2,7H,1H3
InChIKeyREWLFONXSBLJBI-UHFFFAOYSA-N
MW320.54 g/mol
LogP3.02
Rot. Bonds2

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

6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride (PubChem CID 130069585) has the molecular formula C7H5BrClF2NO2S and a molecular weight of 320.54 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
PubChem CID130069585
Molecular FormulaC7H5BrClF2NO2S
Molecular Weight320.54 g/mol
Exact Mass318.89
IUPAC Name6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
SMILESCc1nc(Br)cc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrClF2NO2S/c1-3-6(15(9,13)14)4(7(10)11)2-5(8)12-3/h2,7H,1H3
InChIKeyREWLFONXSBLJBI-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

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130078494
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonyl chloride
CID 130069589
[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
CID 130069170
4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130109159
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130068995
4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118850596
6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130108459
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-sulfonyl chloride
CID 118799821

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride (CID 130069585) is 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride is Cc1nc(Br)cc(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride?
The InChIKey is REWLFONXSBLJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO2S/c1-3-6(15(9,13)14)4(7(10)11)2-5(8)12-3/h2,7H,1H3.
What are the key properties of 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride?
6-bromo-4-(difluoromethyl)-2-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 6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 130069585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).