disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate

C10H6N2Na2O6S2 — CID 102303029

IUPACdisodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate
SMILESO=S(=O)([O-])c1ccnc(-c2cc(S(=O)(=O)[O-])ccn2)c1.[Na+].[Na+]
InChIInChI=1S/C10H8N2O6S2.2Na/c13-19(14,15)7-1-3-11-9(5-7)10-6-8(2-4-12-10)20(16,17)18;;/h1-6H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKeyPDHYRZPWIHWFNB-UHFFFAOYSA-L
MW360.28 g/mol
LogP-6.04
Rot. Bonds3

About disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate

disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate (PubChem CID 102303029) has the molecular formula C10H6N2Na2O6S2 and a molecular weight of 360.28 g/mol. Its IUPAC name is disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate.

Molecular Properties

Compound Namedisodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate
PubChem CID102303029
Molecular FormulaC10H6N2Na2O6S2
Molecular Weight360.28 g/mol
Exact Mass359.95
IUPAC Namedisodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate
SMILESO=S(=O)([O-])c1ccnc(-c2cc(S(=O)(=O)[O-])ccn2)c1.[Na+].[Na+]
InChIInChI=1S/C10H8N2O6S2.2Na/c13-19(14,15)7-1-3-11-9(5-7)10-6-8(2-4-12-10)20(16,17)18;;/h1-6H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKeyPDHYRZPWIHWFNB-UHFFFAOYSA-L
XLogP-6.04
TPSA140.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 5-6.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate?
The IUPAC name of disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate (CID 102303029) is disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate.
What is the SMILES notation for disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate?
The canonical SMILES for disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate is O=S(=O)([O-])c1ccnc(-c2cc(S(=O)(=O)[O-])ccn2)c1.[Na+].[Na+].
What is the InChIKey of disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate?
The InChIKey is PDHYRZPWIHWFNB-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2O6S2.2Na/c13-19(14,15)7-1-3-11-9(5-7)10-6-8(2-4-12-10)20(16,17)18;;/h1-6H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2.
What are the key properties of disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate?
disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate has a molecular weight of 360.28 g/mol, XLogP of -6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(4-sulfonato-2-pyridinyl)pyridine-4-sulfonate is sourced from PubChem (CID 102303029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).