4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride

C6H2BrCl2F2NO2S — CID 118811600

IUPAC4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c(C(F)F)c(Cl)n1
InChIInChI=1S/C6H2BrCl2F2NO2S/c7-2-1-3(15(9,13)14)12-5(8)4(2)6(10)11/h1,6H
InChIKeyIELBASMKWOTAAW-UHFFFAOYSA-N
MW340.96 g/mol
LogP3.36
Rot. Bonds2

About 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride

4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 118811600) has the molecular formula C6H2BrCl2F2NO2S and a molecular weight of 340.96 g/mol. Its IUPAC name is 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID118811600
Molecular FormulaC6H2BrCl2F2NO2S
Molecular Weight340.96 g/mol
Exact Mass338.83
IUPAC Name4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)c(C(F)F)c(Cl)n1
InChIInChI=1S/C6H2BrCl2F2NO2S/c7-2-1-3(15(9,13)14)12-5(8)4(2)6(10)11/h1,6H
InChIKeyIELBASMKWOTAAW-UHFFFAOYSA-N
XLogP3.36
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.96
LogP ≤ 53.36
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

4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118828999
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
5-amino-4-bromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130102315
4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonamide
CID 130103126
6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide
CID 119025115
4-chloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118834021
5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130108482
2-[4-bromo-6-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118805956
4,5-dichloro-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130099502
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130068995
6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130108459
4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118834583

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride (CID 118811600) is 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1cc(Br)c(C(F)F)c(Cl)n1.
What is the InChIKey of 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is IELBASMKWOTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2F2NO2S/c7-2-1-3(15(9,13)14)12-5(8)4(2)6(10)11/h1,6H.
What are the key properties of 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride?
4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride has a molecular weight of 340.96 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 118811600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).