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

C35H20Cl3F3N6O2Zn — CID 135718532

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

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc (PubChem CID 135718532) has the molecular formula C35H20Cl3F3N6O2Zn and a molecular weight of 785.33 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc.

Molecular Properties

• Compound Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc
• PubChem CID: 135718532
• Molecular Formula: C35H20Cl3F3N6O2Zn
• Molecular Weight: 785.33 g/mol
• Exact Mass: 782.00
• IUPAC Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc
• SMILES: Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(C(F)(F)F)cc1Cl.[Zn]
• InChI: InChI=1S/C19H11Cl2N3O.C16H9ClF3N3O.Zn/c20-11-9-16(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;17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;/h1-10,25H;1-8,24H;/b24-23+;23-22+
• InChIKey: NTEFUCSNRGJQOA-BWFYIXOZSA-N
• XLogP: 12.84
• TPSA: 115.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.33
LogP ≤ 5	12.84
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc (CID 135718532) is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc.

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

The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc is Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.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;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc?

The InChIKey is NTEFUCSNRGJQOA-BWFYIXOZSA-N. The full InChI is InChI=1S/C19H11Cl2N3O.C16H9ClF3N3O.Zn/c20-11-9-16(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;17-12-7-10(16(18,19)20)8-21-15(12)23-22-14-11-4-2-1-3-9(11)5-6-13(14)24;/h1-10,25H;1-8,24H;/b24-23+;23-22+;.

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

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc has a molecular weight of 785.33 g/mol, XLogP of 12.84, 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;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;zinc is sourced from PubChem (CID 135718532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).