bis(pyridine);sulfuric acid

C10H12N2O4S — CID 57357654

IUPACbis(pyridine);sulfuric acid
SMILESO=S(=O)(O)O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.H2O4S/c2*1-2-4-6-5-3-1;1-5(2,3)4/h2*1-5H;(H2,1,2,3,4)
InChIKeyQYPWRPSMKLUGJZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.51
Rot. Bonds

About bis(pyridine);sulfuric acid

bis(pyridine);sulfuric acid (PubChem CID 57357654) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is bis(pyridine);sulfuric acid.

Molecular Properties

Compound Namebis(pyridine);sulfuric acid
PubChem CID57357654
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Namebis(pyridine);sulfuric acid
SMILESO=S(=O)(O)O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.H2O4S/c2*1-2-4-6-5-3-1;1-5(2,3)4/h2*1-5H;(H2,1,2,3,4)
InChIKeyQYPWRPSMKLUGJZ-UHFFFAOYSA-N
XLogP1.51
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(pyridine);sulfuric acid?
The IUPAC name of bis(pyridine);sulfuric acid (CID 57357654) is bis(pyridine);sulfuric acid.
What is the SMILES notation for bis(pyridine);sulfuric acid?
The canonical SMILES for bis(pyridine);sulfuric acid is O=S(=O)(O)O.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(pyridine);sulfuric acid?
The InChIKey is QYPWRPSMKLUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.H2O4S/c2*1-2-4-6-5-3-1;1-5(2,3)4/h2*1-5H;(H2,1,2,3,4).
What are the key properties of bis(pyridine);sulfuric acid?
bis(pyridine);sulfuric acid has a molecular weight of 256.28 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridine);sulfuric acid is sourced from PubChem (CID 57357654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).