2-bromo-4-fluoropyridine-3-sulfonyl chloride

C5H2BrClFNO2S — CID 131029000

IUPAC2-bromo-4-fluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)ccnc1Br
InChIInChI=1S/C5H2BrClFNO2S/c6-5-4(12(7,10)11)3(8)1-2-9-5/h1-2H
InChIKeyZZYWQHXDVIHYGH-UHFFFAOYSA-N
MW274.50 g/mol
LogP1.91
Rot. Bonds1

About 2-bromo-4-fluoropyridine-3-sulfonyl chloride

2-bromo-4-fluoropyridine-3-sulfonyl chloride (PubChem CID 131029000) has the molecular formula C5H2BrClFNO2S and a molecular weight of 274.50 g/mol. Its IUPAC name is 2-bromo-4-fluoropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-fluoropyridine-3-sulfonyl chloride
PubChem CID131029000
Molecular FormulaC5H2BrClFNO2S
Molecular Weight274.50 g/mol
Exact Mass272.87
IUPAC Name2-bromo-4-fluoropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)ccnc1Br
InChIInChI=1S/C5H2BrClFNO2S/c6-5-4(12(7,10)11)3(8)1-2-9-5/h1-2H
InChIKeyZZYWQHXDVIHYGH-UHFFFAOYSA-N
XLogP1.91
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 51.91
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-bromo-4-nitropyridine-3-sulfonyl chloride
CID 130935800
6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
CID 130776377
2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
CID 130929622
2-bromo-4-fluoro-3-(trifluoromethyl)pyridine
CID 118704096
4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118850596
4-chloro-2-methylpyridine-3-sulfonyl chloride
CID 151415584
3,4-dibromopyridine-2-sulfonyl chloride
CID 131008415
4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride
CID 50998066
2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
CID 50998006
3,6-difluoro-2-nitrobenzenesulfonyl chloride
CID 131500772
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
6-fluoro-2-hydroxy-3-methylbenzenesulfonyl chloride
CID 122199049

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoropyridine-3-sulfonyl chloride?
The IUPAC name of 2-bromo-4-fluoropyridine-3-sulfonyl chloride (CID 131029000) is 2-bromo-4-fluoropyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-4-fluoropyridine-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-4-fluoropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1c(F)ccnc1Br.
What is the InChIKey of 2-bromo-4-fluoropyridine-3-sulfonyl chloride?
The InChIKey is ZZYWQHXDVIHYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClFNO2S/c6-5-4(12(7,10)11)3(8)1-2-9-5/h1-2H.
What are the key properties of 2-bromo-4-fluoropyridine-3-sulfonyl chloride?
2-bromo-4-fluoropyridine-3-sulfonyl chloride has a molecular weight of 274.50 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoropyridine-3-sulfonyl chloride is sourced from PubChem (CID 131029000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).