1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc

C31H22Cl2N6O3Zn — CID 135718520

About 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc

1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc (PubChem CID 135718520) has the molecular formula C31H22Cl2N6O3Zn and a molecular weight of 662.85 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc.

Molecular Properties

• Compound Name: 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc
• PubChem CID: 135718520
• Molecular Formula: C31H22Cl2N6O3Zn
• Molecular Weight: 662.85 g/mol
• Exact Mass: 660.04
• IUPAC Name: 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc
• SMILES: COc1cccnc1/N=N/c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Zn]
• InChI: InChI=1S/C16H13N3O2.C15H9Cl2N3O.Zn/c1-21-14-7-4-10-17-16(14)19-18-15-12-6-3-2-5-11(12)8-9-13(15)20;16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21;/h2-10,20H,1H3;1-8,21H;/b19-18+;20-19+
• InChIKey: TZNPTDCJRRISKF-DWULKELFSA-N
• XLogP: 10.02
• TPSA: 124.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.85
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc (CID 135718520) is 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc.

What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc is COc1cccnc1/N=N/c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Zn].

What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

The InChIKey is TZNPTDCJRRISKF-DWULKELFSA-N. The full InChI is InChI=1S/C16H13N3O2.C15H9Cl2N3O.Zn/c1-21-14-7-4-10-17-16(14)19-18-15-12-6-3-2-5-11(12)8-9-13(15)20;16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21;/h2-10,20H,1H3;1-8,21H;/b19-18+;20-19+;.

What are the key properties of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc has a molecular weight of 662.85 g/mol, XLogP of 10.02, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc is sourced from PubChem (CID 135718520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).