dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)

C46H30N6O10Zn2 — CID 139171175

IUPACdizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1ccc(Oc2cncc(C(=O)[O-])c2)cc1.O=C([O-])c1ccc(Oc2cncc(C(=O)[O-])c2)cc1.[Zn+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C13H9NO5.2C10H8N2.2Zn/c2*15-12(16)8-1-3-10(4-2-8)19-11-5-9(13(17)18)6-14-7-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*1-7H,(H,15,16)(H,17,18);2*1-8H;;/q;;;;2*+2/p-4
InChIKeyMPMKUTTZICZLJI-UHFFFAOYSA-J
MW957.56 g/mol
LogP3.48
Rot. Bonds10

About dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)

dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine) (PubChem CID 139171175) has the molecular formula C46H30N6O10Zn2 and a molecular weight of 957.56 g/mol. Its IUPAC name is dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namedizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)
PubChem CID139171175
Molecular FormulaC46H30N6O10Zn2
Molecular Weight957.56 g/mol
Exact Mass954.06
IUPAC Namedizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1ccc(Oc2cncc(C(=O)[O-])c2)cc1.O=C([O-])c1ccc(Oc2cncc(C(=O)[O-])c2)cc1.[Zn+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C13H9NO5.2C10H8N2.2Zn/c2*15-12(16)8-1-3-10(4-2-8)19-11-5-9(13(17)18)6-14-7-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*1-7H,(H,15,16)(H,17,18);2*1-8H;;/q;;;;2*+2/p-4
InChIKeyMPMKUTTZICZLJI-UHFFFAOYSA-J
XLogP3.48
TPSA256.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.56
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxy-2,6-dimethylphenyl)-5-[6-[2-[6-[5-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-3-pyridinyl]furo[2,3-c]pyridin-5-yl]-2-pyridinyl]furo[2,3-c]pyridine
CID 139043735
Bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169985
Dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(1,10-phenanthroline)
CID 139171176
2-[5-[6-([1]Benzofuro[3,2-b]pyridin-2-yl)-3-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 130191532
Ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate
CID 144980031
Bis(chromeno[4,3-b]pyridin-5-one);bis(isochromeno[4,3-b]pyridin-6-one)
CID 157442820
10H-chromeno[4,3-b]pyridin-10-id-5-one;tetrakis(iridium);tris(10H-isochromeno[4,3-b]pyridin-10-id-6-one);methane;bis(2-phenylpyridine)
CID 157954087
Methyl 6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyridine-3-carboxylate;2-[[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl-[(4-phenoxyphenyl)methyl]amino]acetic acid
CID 158050965
10H-chromeno[4,3-b]pyridin-10-id-5-one;tetrakis(iridium);tris(10H-isochromeno[4,3-b]pyridin-10-id-6-one);methane;bis(2-phenylpyridine)
CID 158491895
Methyl 2-methyl-6-phenylmethoxyindolizine-1-carboxylate;methyl 2-methyl-8-phenylmethoxyindolizine-1-carboxylate;methyl 2-(3-phenylmethoxy-2-pyridinyl)acetate;methyl 2-(5-phenylmethoxy-2-pyridinyl)acetate
CID 161027909
Cobalt;bis(6-pyridin-2-ylpyridine-3-carboxylic acid);(6-pyridin-2-yl-3-pyridinyl) formate
CID 164736030
8-[6-[6-([1]Benzofuro[3,2-b]pyridin-8-yl)-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 166504122

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)?
The IUPAC name of dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine) (CID 139171175) is dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine) is O=C([O-])c1ccc(Oc2cncc(C(=O)[O-])c2)cc1.O=C([O-])c1ccc(Oc2cncc(C(=O)[O-])c2)cc1.[Zn+2].[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)?
The InChIKey is MPMKUTTZICZLJI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H9NO5.2C10H8N2.2Zn/c2*15-12(16)8-1-3-10(4-2-8)19-11-5-9(13(17)18)6-14-7-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*1-7H,(H,15,16)(H,17,18);2*1-8H;;/q;;;;2*+2/p-4.
What are the key properties of dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine)?
dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine) has a molecular weight of 957.56 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(5-(4-carboxylatophenoxy)pyridine-3-carboxylate);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139171175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).