bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate

C32H30Cl2N4O18Pb2S4 — CID 139203313

About bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate

bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate (PubChem CID 139203313) has the molecular formula C32H30Cl2N4O18Pb2S4 and a molecular weight of 1372.18 g/mol. Its IUPAC name is bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate.

Molecular Properties

• Compound Name: bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate
• PubChem CID: 139203313
• Molecular Formula: C32H30Cl2N4O18Pb2S4
• Molecular Weight: 1372.18 g/mol
• Exact Mass: 1371.93
• IUPAC Name: bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate
• SMILES: O.O.O.O.O=S(=O)([O-])c1cc(Cl)cc(S(=O)(=O)[O-])c1O.O=S(=O)([O-])c1cc(Cl)cc(S(=O)(=O)[O-])c1O.[Pb+2].[Pb+2].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1
• InChI: InChI=1S/2C10H8N2.2C6H5ClO7S2.4H2O.2Pb/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14;;;;;;/h2*1-8H;2*1-2,8H,(H,9,10,11)(H,12,13,14);4*1H2;;/q;;;;;;;;2*+2/p-4
• InChIKey: SQUBKDRKJMSKTF-UHFFFAOYSA-J
• XLogP: -0.07
• TPSA: 446.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1372.18
LogP ≤ 5	-0.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate?

The IUPAC name of bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate (CID 139203313) is bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate.

What is the SMILES notation for bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate?

The canonical SMILES for bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate is O.O.O.O.O=S(=O)([O-])c1cc(Cl)cc(S(=O)(=O)[O-])c1O.O=S(=O)([O-])c1cc(Cl)cc(S(=O)(=O)[O-])c1O.[Pb+2].[Pb+2].c1cc(-c2ccncc2)ccn1.c1cc(-c2ccncc2)ccn1.

What is the InChIKey of bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate?

The InChIKey is SQUBKDRKJMSKTF-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.2C6H5ClO7S2.4H2O.2Pb/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14;;;;;;/h2*1-8H;2*1-2,8H,(H,9,10,11)(H,12,13,14);4*1H2;;/q;;;;;;;;2*+2/p-4.

What are the key properties of bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate?

bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate has a molecular weight of 1372.18 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-chloro-2-hydroxybenzene-1,3-disulfonate);bis(lead(2+));bis(4-pyridin-4-ylpyridine);tetrahydrate is sourced from PubChem (CID 139203313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).