2-bromo-4-nitropyridine-3-sulfonyl chloride

C5H2BrClN2O4S — CID 130935800

IUPAC2-bromo-4-nitropyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1ccnc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C5H2BrClN2O4S/c6-5-4(14(7,12)13)3(9(10)11)1-2-8-5/h1-2H
InChIKeyVXOBZSZJLJJPBZ-UHFFFAOYSA-N
MW301.51 g/mol
LogP1.68
Rot. Bonds2

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

2-bromo-4-nitropyridine-3-sulfonyl chloride (PubChem CID 130935800) has the molecular formula C5H2BrClN2O4S and a molecular weight of 301.51 g/mol. Its IUPAC name is 2-bromo-4-nitropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-nitropyridine-3-sulfonyl chloride
PubChem CID130935800
Molecular FormulaC5H2BrClN2O4S
Molecular Weight301.51 g/mol
Exact Mass299.86
IUPAC Name2-bromo-4-nitropyridine-3-sulfonyl chloride
SMILESO=[N+]([O-])c1ccnc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C5H2BrClN2O4S/c6-5-4(14(7,12)13)3(9(10)11)1-2-8-5/h1-2H
InChIKeyVXOBZSZJLJJPBZ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-fluoro-6-nitrobenzenesulfonyl chloride
CID 171029859
6-bromo-2-chloro-3-nitrobenzenesulfonyl chloride
CID 172969836
3-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 130097988
5-nitro-1H-benzimidazole-4-sulfonyl chloride
CID 131479443
3-chloro-2-methyl-4-nitropyridine
CID 21364039
3-bromo-4-nitropyridine-2-carboxylic acid
CID 131073239
2-bromo-3-nitro-6-(trifluoromethyl)benzenesulfonyl chloride
CID 171000383
2-bromo-6-(difluoromethyl)-3-nitrobenzenesulfonyl chloride
CID 172969002
4-bromo-5-nitropyridine-2-sulfonyl chloride
CID 118845533
3-chloro-2,4-dinitropyridine
CID 174686743
3-bromo-2-methyl-4-nitrobenzenesulfonyl chloride
CID 131469700
3-chloro-2-iodo-4-nitropyridine
CID 131142975

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitropyridine-3-sulfonyl chloride?
The IUPAC name of 2-bromo-4-nitropyridine-3-sulfonyl chloride (CID 130935800) is 2-bromo-4-nitropyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-4-nitropyridine-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-4-nitropyridine-3-sulfonyl chloride is O=[N+]([O-])c1ccnc(Br)c1S(=O)(=O)Cl.
What is the InChIKey of 2-bromo-4-nitropyridine-3-sulfonyl chloride?
The InChIKey is VXOBZSZJLJJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN2O4S/c6-5-4(14(7,12)13)3(9(10)11)1-2-8-5/h1-2H.
What are the key properties of 2-bromo-4-nitropyridine-3-sulfonyl chloride?
2-bromo-4-nitropyridine-3-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 2-bromo-4-nitropyridine-3-sulfonyl chloride is sourced from PubChem (CID 130935800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).