4-bromo-5-nitropyridine-2-sulfonyl chloride

C5H2BrClN2O4S — CID 118845533

IUPAC4-bromo-5-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cnc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C5H2BrClN2O4S/c6-3-1-5(14(7,12)13)8-2-4(3)9(10)11/h1-2H
InChIKeyGKZIQVSXANDWGA-UHFFFAOYSA-N
MW301.51 g/mol
LogP1.68
Rot. Bonds2

About 4-bromo-5-nitropyridine-2-sulfonyl chloride

4-bromo-5-nitropyridine-2-sulfonyl chloride (PubChem CID 118845533) has the molecular formula C5H2BrClN2O4S and a molecular weight of 301.51 g/mol. Its IUPAC name is 4-bromo-5-nitropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-5-nitropyridine-2-sulfonyl chloride
PubChem CID118845533
Molecular FormulaC5H2BrClN2O4S
Molecular Weight301.51 g/mol
Exact Mass299.86
IUPAC Name4-bromo-5-nitropyridine-2-sulfonyl chloride
SMILESO=[N+]([O-])c1cnc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C5H2BrClN2O4S/c6-3-1-5(14(7,12)13)8-2-4(3)9(10)11/h1-2H
InChIKeyGKZIQVSXANDWGA-UHFFFAOYSA-N
XLogP1.68
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-nitropyridine-2-sulfonyl chloride
CID 83271751
4-bromo-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 118845762
5-bromo-4-chloropyridine-2-sulfonyl chloride
CID 130895574
4-bromo-2-(difluoromethyl)-5-nitropyridine
CID 118811909
5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride
CID 86775488
3,4-dibromo-5-nitrobenzenesulfonyl chloride
CID 172969305
4-bromo-2-(difluoromethoxy)-5-nitropyridine
CID 118800660
2-bromo-4-nitropyridine-3-sulfonyl chloride
CID 130935800
1-bromo-2,4,5-trinitrobenzene
CID 13333986
3-bromo-5-nitropyridine-4-carbaldehyde
CID 130966460
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
4-bromo-5-cyano-2-nitrobenzenesulfonyl chloride
CID 118811260

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-nitropyridine-2-sulfonyl chloride?
The IUPAC name of 4-bromo-5-nitropyridine-2-sulfonyl chloride (CID 118845533) is 4-bromo-5-nitropyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-bromo-5-nitropyridine-2-sulfonyl chloride?
The canonical SMILES for 4-bromo-5-nitropyridine-2-sulfonyl chloride is O=[N+]([O-])c1cnc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 4-bromo-5-nitropyridine-2-sulfonyl chloride?
The InChIKey is GKZIQVSXANDWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN2O4S/c6-3-1-5(14(7,12)13)8-2-4(3)9(10)11/h1-2H.
What are the key properties of 4-bromo-5-nitropyridine-2-sulfonyl chloride?
4-bromo-5-nitropyridine-2-sulfonyl chloride has a molecular weight of 301.51 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-nitropyridine-2-sulfonyl chloride is sourced from PubChem (CID 118845533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).