2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc

C101H69Cl8F6N19NiO7Zn2 — CID 161350157

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc (PubChem CID 161350157) has the molecular formula C101H69Cl8F6N19NiO7Zn2 and a molecular weight of 2247.87 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc.

Molecular Properties

• Compound Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc
• PubChem CID: 161350157
• Molecular Formula: C101H69Cl8F6N19NiO7Zn2
• Molecular Weight: 2247.87 g/mol
• Exact Mass: 2239.10
• IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc
• SMILES: CCN(CC)c1ccc(/N=N/c2ncc(C(F)(F)F)cc2Cl)c(O)c1.COc1cccnc1/N=N/c1c(O)ccc2ccccc12.Oc1c(/N=N/c2ncc(C(F)(F)F)cc2Cl)c2ccccc2c2ccccc12.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Ni].[Zn].[Zn]
• InChI: InChI=1S/C20H11ClF3N3O.C19H11Cl2N3O.C16H16ClF3N4O.C16H13N3O2.2C15H9Cl2N3O.Ni.2Zn/c21-16-9-11(20(22,23)24)10-25-19(16)27-26-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)28;20-11-9-16(21)19(22-10-11)24-23-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25;1-3-24(4-2)11-5-6-13(14(25)8-11)22-23-15-12(17)7-10(9-21-15)16(18,19)20;1-21-14-7-4-10-17-16(14)19-18-15-12-6-3-2-5-11(12)8-9-13(15)20;2*16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21;;;/h1-10,28H;1-10,25H;5-9,25H,3-4H2,1-2H3;2-10,20H,1H3;2*1-8,21H;;;/b27-26+;24-23+;23-22+;19-18+;2*20-19+
• InChIKey: MHWSJUFVLUXPEF-QLGJXOHVSA-N
• XLogP: 35.40
• TPSA: 359.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2247.87
LogP ≤ 5	35.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc?

The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc (CID 161350157) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc.

What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc?

The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc is CCN(CC)c1ccc(/N=N/c2ncc(C(F)(F)F)cc2Cl)c(O)c1.COc1cccnc1/N=N/c1c(O)ccc2ccccc12.Oc1c(/N=N/c2ncc(C(F)(F)F)cc2Cl)c2ccccc2c2ccccc12.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Ni].[Zn].[Zn].

What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc?

The InChIKey is MHWSJUFVLUXPEF-QLGJXOHVSA-N. The full InChI is InChI=1S/C20H11ClF3N3O.C19H11Cl2N3O.C16H16ClF3N4O.C16H13N3O2.2C15H9Cl2N3O.Ni.2Zn/c21-16-9-11(20(22,23)24)10-25-19(16)27-26-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)28;20-11-9-16(21)19(22-10-11)24-23-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25;1-3-24(4-2)11-5-6-13(14(25)8-11)22-23-15-12(17)7-10(9-21-15)16(18,19)20;1-21-14-7-4-10-17-16(14)19-18-15-12-6-3-2-5-11(12)8-9-13(15)20;2*16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21;;;/h1-10,28H;1-10,25H;5-9,25H,3-4H2,1-2H3;2-10,20H,1H3;2*1-8,21H;;;/b27-26+;24-23+;23-22+;19-18+;2*20-19+;;;.

What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc?

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc has a molecular weight of 2247.87 g/mol, XLogP of 35.40, 16 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;zinc is sourced from PubChem (CID 161350157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).