2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc

C58H51F3N14O4Zn6-4 — CID 157093036

IUPAC2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc
SMILESCC(C)(O)c1ccccn1.Cc1c[n-]c(-c2ccccn2)n1.Cc1cc(-n2cccn2)[n-]n1.O=C(O)c1ccccn1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].c1ccc(-c2nc(-c3ccccn3)[n-]c2-c2ccccc2)cc1
InChIInChI=1S/C20H14N3.C9H8N3.C8H7F3N2O.C8H11NO.C7H7N4.C6H5NO2.6Zn/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-20(22-18)17-13-7-8-14-21-17;1-7-6-11-9(12-7)8-4-2-3-5-10-8;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;1-8(2,10)7-5-3-4-6-9-7;1-6-5-7(10-9-6)11-4-2-3-8-11;8-6(9)5-3-1-2-4-7-5;;;;;;/h1-14H;2-6H,1H3;1-4H,5H2,(H,13,14);3-6,10H,1-2H3;2-5H,1H3;1-4H,(H,8,9);;;;;;/q2*-1;;;-1;;;;;;;/p-1
InChIKeyADCJMVHYKVYFAN-UHFFFAOYSA-M
MW1457.47 g/mol
LogP10.49
Rot. Bonds9

About 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc

2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc (PubChem CID 157093036) has the molecular formula C58H51F3N14O4Zn6-4 and a molecular weight of 1457.47 g/mol. Its IUPAC name is 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc.

Molecular Properties

Compound Name2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc
PubChem CID157093036
Molecular FormulaC58H51F3N14O4Zn6-4
Molecular Weight1457.47 g/mol
Exact Mass1447.99
IUPAC Name2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc
SMILESCC(C)(O)c1ccccn1.Cc1c[n-]c(-c2ccccn2)n1.Cc1cc(-n2cccn2)[n-]n1.O=C(O)c1ccccn1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].c1ccc(-c2nc(-c3ccccn3)[n-]c2-c2ccccc2)cc1
InChIInChI=1S/C20H14N3.C9H8N3.C8H7F3N2O.C8H11NO.C7H7N4.C6H5NO2.6Zn/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-20(22-18)17-13-7-8-14-21-17;1-7-6-11-9(12-7)8-4-2-3-5-10-8;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;1-8(2,10)7-5-3-4-6-9-7;1-6-5-7(10-9-6)11-4-2-3-8-11;8-6(9)5-3-1-2-4-7-5;;;;;;/h1-14H;2-6H,1H3;1-4H,5H2,(H,13,14);3-6,10H,1-2H3;2-5H,1H3;1-4H,(H,8,9);;;;;;/q2*-1;;;-1;;;;;;;/p-1
InChIKeyADCJMVHYKVYFAN-UHFFFAOYSA-M
XLogP10.49
TPSA251.94 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms85
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.47
LogP ≤ 510.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc?
The IUPAC name of 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc (CID 157093036) is 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc.
What is the SMILES notation for 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc?
The canonical SMILES for 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc is CC(C)(O)c1ccccn1.Cc1c[n-]c(-c2ccccn2)n1.Cc1cc(-n2cccn2)[n-]n1.O=C(O)c1ccccn1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].c1ccc(-c2nc(-c3ccccn3)[n-]c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc?
The InChIKey is ADCJMVHYKVYFAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H14N3.C9H8N3.C8H7F3N2O.C8H11NO.C7H7N4.C6H5NO2.6Zn/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-20(22-18)17-13-7-8-14-21-17;1-7-6-11-9(12-7)8-4-2-3-5-10-8;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;1-8(2,10)7-5-3-4-6-9-7;1-6-5-7(10-9-6)11-4-2-3-8-11;8-6(9)5-3-1-2-4-7-5;;;;;;/h1-14H;2-6H,1H3;1-4H,5H2,(H,13,14);3-6,10H,1-2H3;2-5H,1H3;1-4H,(H,8,9);;;;;;/q2*-1;;;-1;;;;;;;/p-1.
What are the key properties of 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc?
2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc has a molecular weight of 1457.47 g/mol, XLogP of 10.49, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenylimidazol-3-id-2-yl)pyridine;2-(4-methylimidazol-1-id-2-yl)pyridine;3-methyl-5-pyrazol-1-ylpyrazol-1-ide;pyridine-2-carboxylic acid;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-pyridin-2-ylpropan-2-ol;zinc is sourced from PubChem (CID 157093036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).