zinc;2,3-dipyridin-2-ylpyridine;sulfate

C15H11N3O4SZn — CID 175077808

IUPACzinc;2,3-dipyridin-2-ylpyridine;sulfate
SMILESO=S(=O)([O-])[O-].[Zn+2].c1ccc(-c2cccnc2-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.H2O4S.Zn/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;1-5(2,3)4;/h1-11H;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyHRGFBBOQPVTJNO-UHFFFAOYSA-L
MW394.73 g/mol
LogP1.87
Rot. Bonds2

About zinc;2,3-dipyridin-2-ylpyridine;sulfate

zinc;2,3-dipyridin-2-ylpyridine;sulfate (PubChem CID 175077808) has the molecular formula C15H11N3O4SZn and a molecular weight of 394.73 g/mol. Its IUPAC name is zinc;2,3-dipyridin-2-ylpyridine;sulfate.

Molecular Properties

Compound Namezinc;2,3-dipyridin-2-ylpyridine;sulfate
PubChem CID175077808
Molecular FormulaC15H11N3O4SZn
Molecular Weight394.73 g/mol
Exact Mass392.98
IUPAC Namezinc;2,3-dipyridin-2-ylpyridine;sulfate
SMILESO=S(=O)([O-])[O-].[Zn+2].c1ccc(-c2cccnc2-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.H2O4S.Zn/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;1-5(2,3)4;/h1-11H;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyHRGFBBOQPVTJNO-UHFFFAOYSA-L
XLogP1.87
TPSA118.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-dipyridin-2-ylpyridine;platinum
CID 87064106
copper;2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine
CID 175437011
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)
CID 87404819
2-(3-pyridin-2-yl-2-pyridinyl)pyrimidine
CID 175779710
N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese
CID 174834499
2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine
CID 175182195
3-chloro-2-(2-pyridin-2-yl-3-pyridinyl)pyridine;platinum
CID 174998180
2-(3-nitro-2-pyridinyl)-3-pyridin-2-ylpyridine
CID 162355373
2,3-dipyridin-2-ylpyridine;1-hydroxypyrrolidine-2,5-dione;ruthenium
CID 175143343
2-(3-pyridin-2-yl-2-pyridinyl)pyridin-3-amine
CID 67060209
3-(4-methylphenyl)-2-pyridin-2-ylpyridine
CID 138756955

Frequently Asked Questions

What is the IUPAC name of zinc;2,3-dipyridin-2-ylpyridine;sulfate?
The IUPAC name of zinc;2,3-dipyridin-2-ylpyridine;sulfate (CID 175077808) is zinc;2,3-dipyridin-2-ylpyridine;sulfate.
What is the SMILES notation for zinc;2,3-dipyridin-2-ylpyridine;sulfate?
The canonical SMILES for zinc;2,3-dipyridin-2-ylpyridine;sulfate is O=S(=O)([O-])[O-].[Zn+2].c1ccc(-c2cccnc2-c2ccccn2)nc1.
What is the InChIKey of zinc;2,3-dipyridin-2-ylpyridine;sulfate?
The InChIKey is HRGFBBOQPVTJNO-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11N3.H2O4S.Zn/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;1-5(2,3)4;/h1-11H;(H2,1,2,3,4);/q;;+2/p-2.
What are the key properties of zinc;2,3-dipyridin-2-ylpyridine;sulfate?
zinc;2,3-dipyridin-2-ylpyridine;sulfate has a molecular weight of 394.73 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2,3-dipyridin-2-ylpyridine;sulfate is sourced from PubChem (CID 175077808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).