2,5-dibromopyridine-3-sulfonyl chloride

C5H2Br2ClNO2S — CID 112694375

IUPAC2,5-dibromopyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cnc1Br
InChIInChI=1S/C5H2Br2ClNO2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H
InChIKeyCEBXZZKJPOGUQC-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.53
Rot. Bonds1

About 2,5-dibromopyridine-3-sulfonyl chloride

2,5-dibromopyridine-3-sulfonyl chloride (PubChem CID 112694375) has the molecular formula C5H2Br2ClNO2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2,5-dibromopyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2,5-dibromopyridine-3-sulfonyl chloride
PubChem CID112694375
Molecular FormulaC5H2Br2ClNO2S
Molecular Weight335.40 g/mol
Exact Mass332.79
IUPAC Name2,5-dibromopyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cnc1Br
InChIInChI=1S/C5H2Br2ClNO2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H
InChIKeyCEBXZZKJPOGUQC-UHFFFAOYSA-N
XLogP2.53
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.53
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

2-amino-5-bromopyridine-3-sulfonyl chloride
CID 53302026
5-bromo-2-[(tetrachloro-λ5-phosphanyl)amino]pyridine-3-sulfonyl chloride
CID 165133627
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
5-bromopyridine-2-sulfonyl chloride;hydrochloride
CID 46738887
5-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130095356
5-bromopyridine-3-sulfonyl chloride;ethane
CID 143729896
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390
2,5-dibromopyridine-3-thiol
CID 119017434
4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-sulfonyl chloride
CID 118817690
5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 54978681
N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide
CID 139215405

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromopyridine-3-sulfonyl chloride?
The IUPAC name of 2,5-dibromopyridine-3-sulfonyl chloride (CID 112694375) is 2,5-dibromopyridine-3-sulfonyl chloride.
What is the SMILES notation for 2,5-dibromopyridine-3-sulfonyl chloride?
The canonical SMILES for 2,5-dibromopyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cnc1Br.
What is the InChIKey of 2,5-dibromopyridine-3-sulfonyl chloride?
The InChIKey is CEBXZZKJPOGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2ClNO2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H.
What are the key properties of 2,5-dibromopyridine-3-sulfonyl chloride?
2,5-dibromopyridine-3-sulfonyl chloride has a molecular weight of 335.40 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromopyridine-3-sulfonyl chloride is sourced from PubChem (CID 112694375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).