1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc

C32H22ClF3N6O2Zn — CID 135718537

About 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc (PubChem CID 135718537) has the molecular formula C32H22ClF3N6O2Zn and a molecular weight of 680.41 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc.

Molecular Properties

• Compound Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc
• PubChem CID: 135718537
• Molecular Formula: C32H22ClF3N6O2Zn
• Molecular Weight: 680.41 g/mol
• Exact Mass: 678.07
• IUPAC Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc
• SMILES: Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.[Zn]
• InChI: InChI=1S/C16H9ClF3N3O.C16H13N3O.Zn/c17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;/h1-8,24H;2-10,20H,1H3;/b23-22+;19-18+
• InChIKey: CELMTIRFURNXKY-WXCRSBOWSA-N
• XLogP: 10.69
• TPSA: 115.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.41
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc (CID 135718537) is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc.

What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc is Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.[Zn].

What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

The InChIKey is CELMTIRFURNXKY-WXCRSBOWSA-N. The full InChI is InChI=1S/C16H9ClF3N3O.C16H13N3O.Zn/c17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;/h1-8,24H;2-10,20H,1H3;/b23-22+;19-18+;.

What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc has a molecular weight of 680.41 g/mol, XLogP of 10.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc is sourced from PubChem (CID 135718537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).