acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate

C33H26Cl2N8O8RuS — CID 139141158

IUPACacetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
SMILESCC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2nc(-c3nccs3)ccc2c1
InChIInChI=1S/C11H7N3S.2C10H8N2.C2H3N.2ClHO4.Ru/c1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;2*2-1(3,4)5;/h1-7H;2*1-8H;1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2
InChIKeyWOPOCGMMKWVUOY-UHFFFAOYSA-L
MW866.66 g/mol
LogP-1.94
Rot. Bonds3

About acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate

acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate (PubChem CID 139141158) has the molecular formula C33H26Cl2N8O8RuS and a molecular weight of 866.66 g/mol. Its IUPAC name is acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate.

Molecular Properties

Compound Nameacetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
PubChem CID139141158
Molecular FormulaC33H26Cl2N8O8RuS
Molecular Weight866.66 g/mol
Exact Mass866.00
IUPAC Nameacetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
SMILESCC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2nc(-c3nccs3)ccc2c1
InChIInChI=1S/C11H7N3S.2C10H8N2.C2H3N.2ClHO4.Ru/c1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;2*2-1(3,4)5;/h1-7H;2*1-8H;1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2
InChIKeyWOPOCGMMKWVUOY-UHFFFAOYSA-L
XLogP-1.94
TPSA298.50 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.66
LogP ≤ 5-1.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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Related Compounds

Bis(copper(1+));bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);diperchlorate
CID 139170064
Acetonitrile;bis(copper(1+));bis(2-pyrazin-2-yl-1,8-naphthyridine);diperchlorate
CID 139170065
Tetrakis(acetonitrile);bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(ruthenium(2+));diacetate;diperchlorate
CID 139170066
ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 157449963
Pentakis(iridium);pentakis(2-methyl-6-phenylpyridine);2-(2-phenyl-4-pyridinyl)pyrazine;2-(2-phenyl-4-pyridinyl)pyrimidine;4-(2-phenyl-4-pyridinyl)pyrimidine;2-(2-phenyl-4-pyridinyl)-1,3-thiazole;2-(2-phenyl-4-pyridinyl)-1,3,5-triazine
CID 160436464
2-Methyl-[1,3]thiazolo[4,5-b]pyridine;5-methyl-[1,3]thiazolo[4,5-b]pyridine;6-methyl-[1,3]thiazolo[4,5-b]pyridine;7-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 161634769
4-Chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)
CID 163639234
2-[3-(5-Methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-[3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;bis(sulfur dioxide)
CID 163786618
Bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate
CID 139170067

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?
The IUPAC name of acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate (CID 139141158) is acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate.
What is the SMILES notation for acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?
The canonical SMILES for acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate is CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2nc(-c3nccs3)ccc2c1.
What is the InChIKey of acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?
The InChIKey is WOPOCGMMKWVUOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H7N3S.2C10H8N2.C2H3N.2ClHO4.Ru/c1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-3;2*2-1(3,4)5;/h1-7H;2*1-8H;1H3;2*(H,2,3,4,5);/q;;;;;;+2/p-2.
What are the key properties of acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?
acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate has a molecular weight of 866.66 g/mol, XLogP of -1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-(1,8-naphthyridin-2-yl)-1,3-thiazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate is sourced from PubChem (CID 139141158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).