bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate

C38H46Cl2N6NiO12 — CID 139088388

IUPACbis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Ni+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C19H13N3O.2ClH.Ni.10H2O/c2*1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;;;;;;;;;;;;;/h2*1-13H;2*1H;;10*1H2/q;;;;+2;;;;;;;;;;/p-2
InChIKeyGMEZDWVMBHIKRC-UHFFFAOYSA-L
MW908.42 g/mol
LogP-5.31
Rot. Bonds6

About bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate

bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate (PubChem CID 139088388) has the molecular formula C38H46Cl2N6NiO12 and a molecular weight of 908.42 g/mol. Its IUPAC name is bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate.

Molecular Properties

Compound Namebis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate
PubChem CID139088388
Molecular FormulaC38H46Cl2N6NiO12
Molecular Weight908.42 g/mol
Exact Mass906.19
IUPAC Namebis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Ni+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C19H13N3O.2ClH.Ni.10H2O/c2*1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;;;;;;;;;;;;;/h2*1-13H;2*1H;;10*1H2/q;;;;+2;;;;;;;;;;/p-2
InChIKeyGMEZDWVMBHIKRC-UHFFFAOYSA-L
XLogP-5.31
TPSA418.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500908.42
LogP ≤ 5-5.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,6-Dipyridin-2-ylpyridine;ethyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;propan-2-one;ruthenium(2+);dihexafluorophosphate;hydrate
CID 139126465
copper;N,N-dimethylpyridin-4-amine;4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine;dichloride;dihydrate
CID 139185941
Ru-ftpy-sac
CID 168344029
2-(4-Formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;4-(5-hexylfuran-2-yl)-2-[4-(5-hexylfuran-2-yl)-2-pyridinyl]pyridine;ruthenium(2+);diisothiocyanate
CID 58184834
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;ruthenium(1+)
CID 58321403
2-[4-Formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)
CID 58321424
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethynyl]phenyl]methyl prop-2-enoate;ruthenium
CID 58769283
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-ylpyridine;[4-[2-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]ethenyl]phenyl]methyl prop-2-enoate;ruthenium
CID 59600820
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(3+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)
CID 140694724
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;cobalt(2+);bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid)
CID 140694732
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(3-pyridin-3-ylpyrazol-1-id-5-yl)-5-(3,4,5-trimethylfuran-2-yl)pyridine;ruthenium(2+);thiocyanate
CID 145155995
Bis(2-(4-carboxy-2-pyridinyl)-6-(2,4-dimethoxybenzene-6-id-1-yl)pyridine-4-carboxylic acid);ruthenium(2+)
CID 145580768

Frequently Asked Questions

What is the IUPAC name of bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate?
The IUPAC name of bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate (CID 139088388) is bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate.
What is the SMILES notation for bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate?
The canonical SMILES for bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate is O.O.O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Ni+2].c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccco3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate?
The InChIKey is GMEZDWVMBHIKRC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H13N3O.2ClH.Ni.10H2O/c2*1-3-9-20-15(6-1)17-12-14(19-8-5-11-23-19)13-18(22-17)16-7-2-4-10-21-16;;;;;;;;;;;;;/h2*1-13H;2*1H;;10*1H2/q;;;;+2;;;;;;;;;;/p-2.
What are the key properties of bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate?
bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate has a molecular weight of 908.42 g/mol, XLogP of -5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(furan-2-yl)-2,6-dipyridin-2-ylpyridine);nickel(2+);dichloride;decahydrate is sourced from PubChem (CID 139088388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).