2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)

C23H16ClN7PtS2 — CID 173276782

IUPAC2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)
SMILESClc1ccnc(-c2cccc(-c3ccccn3)n2)c1.[Pt+2].[S-]c1ncccn1.[S-]c1ncccn1
InChIInChI=1S/C15H10ClN3.2C4H4N2S.Pt/c16-11-7-9-18-15(10-11)14-6-3-5-13(19-14)12-4-1-2-8-17-12;2*7-4-5-2-1-3-6-4;/h1-10H;2*1-3H,(H,5,6,7);/q;;;+2/p-2
InChIKeyONORGJSAINYPFM-UHFFFAOYSA-L
MW685.10 g/mol
LogP4.62
Rot. Bonds2

About 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)

2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate) (PubChem CID 173276782) has the molecular formula C23H16ClN7PtS2 and a molecular weight of 685.10 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate).

Molecular Properties

Compound Name2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)
PubChem CID173276782
Molecular FormulaC23H16ClN7PtS2
Molecular Weight685.10 g/mol
Exact Mass684.02
IUPAC Name2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)
SMILESClc1ccnc(-c2cccc(-c3ccccn3)n2)c1.[Pt+2].[S-]c1ncccn1.[S-]c1ncccn1
InChIInChI=1S/C15H10ClN3.2C4H4N2S.Pt/c16-11-7-9-18-15(10-11)14-6-3-5-13(19-14)12-4-1-2-8-17-12;2*7-4-5-2-1-3-6-4;/h1-10H;2*1-3H,(H,5,6,7);/q;;;+2/p-2
InChIKeyONORGJSAINYPFM-UHFFFAOYSA-L
XLogP4.62
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.10
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate) with MolForge

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Related Compounds

4-chloro-2,6-dipyridin-2-ylpyridine;platinum
CID 87267165
4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine
CID 58781432
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2-(4-bromo-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 10733853
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)?
The IUPAC name of 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate) (CID 173276782) is 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate).
What is the SMILES notation for 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)?
The canonical SMILES for 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate) is Clc1ccnc(-c2cccc(-c3ccccn3)n2)c1.[Pt+2].[S-]c1ncccn1.[S-]c1ncccn1.
What is the InChIKey of 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)?
The InChIKey is ONORGJSAINYPFM-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H10ClN3.2C4H4N2S.Pt/c16-11-7-9-18-15(10-11)14-6-3-5-13(19-14)12-4-1-2-8-17-12;2*7-4-5-2-1-3-6-4;/h1-10H;2*1-3H,(H,5,6,7);/q;;;+2/p-2.
What are the key properties of 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate)?
2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate) has a molecular weight of 685.10 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridinyl)-6-pyridin-2-ylpyridine;platinum(2+);bis(pyrimidine-2-thiolate) is sourced from PubChem (CID 173276782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).