potassium (2-chloro-5-nitrophenyl) sulfite

C6H3ClKNO5S — CID 175273368

IUPACpotassium (2-chloro-5-nitrophenyl) sulfite
SMILESO=[N+]([O-])c1ccc(Cl)c(OS(=O)[O-])c1.[K+]
InChIInChI=1S/C6H4ClNO5S.K/c7-5-2-1-4(8(9)10)3-6(5)13-14(11)12;/h1-3H,(H,11,12);/q;+1/p-1
InChIKeyYFCJUXIZGMNXLL-UHFFFAOYSA-M
MW275.71 g/mol
LogP-1.57
Rot. Bonds3

About potassium (2-chloro-5-nitrophenyl) sulfite

potassium (2-chloro-5-nitrophenyl) sulfite (PubChem CID 175273368) has the molecular formula C6H3ClKNO5S and a molecular weight of 275.71 g/mol. Its IUPAC name is potassium (2-chloro-5-nitrophenyl) sulfite.

Molecular Properties

Compound Namepotassium (2-chloro-5-nitrophenyl) sulfite
PubChem CID175273368
Molecular FormulaC6H3ClKNO5S
Molecular Weight275.71 g/mol
Exact Mass274.91
IUPAC Namepotassium (2-chloro-5-nitrophenyl) sulfite
SMILESO=[N+]([O-])c1ccc(Cl)c(OS(=O)[O-])c1.[K+]
InChIInChI=1S/C6H4ClNO5S.K/c7-5-2-1-4(8(9)10)3-6(5)13-14(11)12;/h1-3H,(H,11,12);/q;+1/p-1
InChIKeyYFCJUXIZGMNXLL-UHFFFAOYSA-M
XLogP-1.57
TPSA92.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 5-1.57
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'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

lithium (2,4-dinitrophenyl) sulfite
CID 175163574
2-chloro-5-nitrobenzenesulfinate
CID 5228765
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
1-chloro-4-nitro-2-(trifluoromethoxy)benzene
CID 71669332
(5-nitro-2-piperidin-1-ylphenyl) sulfite
CID 57251043
2-(2-chloro-5-nitrophenoxy)acetaldehyde
CID 63990784
tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
CID 125116636
1-(2-chloro-5-nitrophenoxy)pentan-2-one
CID 63990783
3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol
CID 66345858
1-chloro-4-nitro-2-(4,4,4-trifluorobutoxy)benzene
CID 115519762
1-chloro-4-nitro-2-pent-2-en-3-yloxybenzene
CID 57060162
5-[(2-chloro-5-nitrophenoxy)methyl]-2,2-dimethyloxolane
CID 116525449

Frequently Asked Questions

What is the IUPAC name of potassium (2-chloro-5-nitrophenyl) sulfite?
The IUPAC name of potassium (2-chloro-5-nitrophenyl) sulfite (CID 175273368) is potassium (2-chloro-5-nitrophenyl) sulfite.
What is the SMILES notation for potassium (2-chloro-5-nitrophenyl) sulfite?
The canonical SMILES for potassium (2-chloro-5-nitrophenyl) sulfite is O=[N+]([O-])c1ccc(Cl)c(OS(=O)[O-])c1.[K+].
What is the InChIKey of potassium (2-chloro-5-nitrophenyl) sulfite?
The InChIKey is YFCJUXIZGMNXLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4ClNO5S.K/c7-5-2-1-4(8(9)10)3-6(5)13-14(11)12;/h1-3H,(H,11,12);/q;+1/p-1.
What are the key properties of potassium (2-chloro-5-nitrophenyl) sulfite?
potassium (2-chloro-5-nitrophenyl) sulfite has a molecular weight of 275.71 g/mol, XLogP of -1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-chloro-5-nitrophenyl) sulfite is sourced from PubChem (CID 175273368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).