sodium;4-cyanopyridine-2-sulfonic acid;hydride

C6H5N2NaO3S — CID 173157024

IUPACsodium;4-cyanopyridine-2-sulfonic acid;hydride
SMILESN#Cc1ccnc(S(=O)(=O)O)c1.[H-].[Na+]
InChIInChI=1S/C6H4N2O3S.Na.H/c7-4-5-1-2-8-6(3-5)12(9,10)11;;/h1-3H,(H,9,10,11);;/q;+1;-1
InChIKeyQPZNTTWFZQKBMC-UHFFFAOYSA-N
MW208.17 g/mol
LogP-2.68
Rot. Bonds1

About sodium;4-cyanopyridine-2-sulfonic acid;hydride

sodium;4-cyanopyridine-2-sulfonic acid;hydride (PubChem CID 173157024) has the molecular formula C6H5N2NaO3S and a molecular weight of 208.17 g/mol. Its IUPAC name is sodium;4-cyanopyridine-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;4-cyanopyridine-2-sulfonic acid;hydride
PubChem CID173157024
Molecular FormulaC6H5N2NaO3S
Molecular Weight208.17 g/mol
Exact Mass207.99
IUPAC Namesodium;4-cyanopyridine-2-sulfonic acid;hydride
SMILESN#Cc1ccnc(S(=O)(=O)O)c1.[H-].[Na+]
InChIInChI=1S/C6H4N2O3S.Na.H/c7-4-5-1-2-8-6(3-5)12(9,10)11;;/h1-3H,(H,9,10,11);;/q;+1;-1
InChIKeyQPZNTTWFZQKBMC-UHFFFAOYSA-N
XLogP-2.68
TPSA91.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
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 sodium;4-cyanopyridine-2-sulfonic acid;hydride?
The IUPAC name of sodium;4-cyanopyridine-2-sulfonic acid;hydride (CID 173157024) is sodium;4-cyanopyridine-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;4-cyanopyridine-2-sulfonic acid;hydride?
The canonical SMILES for sodium;4-cyanopyridine-2-sulfonic acid;hydride is N#Cc1ccnc(S(=O)(=O)O)c1.[H-].[Na+].
What is the InChIKey of sodium;4-cyanopyridine-2-sulfonic acid;hydride?
The InChIKey is QPZNTTWFZQKBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3S.Na.H/c7-4-5-1-2-8-6(3-5)12(9,10)11;;/h1-3H,(H,9,10,11);;/q;+1;-1.
What are the key properties of sodium;4-cyanopyridine-2-sulfonic acid;hydride?
sodium;4-cyanopyridine-2-sulfonic acid;hydride has a molecular weight of 208.17 g/mol, XLogP of -2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-cyanopyridine-2-sulfonic acid;hydride is sourced from PubChem (CID 173157024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).