2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc

C62H47Cl5F3N13O4Zn2 — CID 158301847

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc (PubChem CID 158301847) has the molecular formula C62H47Cl5F3N13O4Zn2 and a molecular weight of 1403.18 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc.

Molecular Properties

• Compound Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc
• PubChem CID: 158301847
• Molecular Formula: C62H47Cl5F3N13O4Zn2
• Molecular Weight: 1403.18 g/mol
• Exact Mass: 1397.09
• IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc
• SMILES: CCN(CC)c1ccc(/N=N/c2ncc(C(F)(F)F)cc2Cl)c(O)c1.Cc1cccnc1/N=N/c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Zn].[Zn]
• InChI: InChI=1S/C16H16ClF3N4O.C16H13N3O.2C15H9Cl2N3O.2Zn/c1-3-24(4-2)11-5-6-13(14(25)8-11)22-23-15-12(17)7-10(9-21-15)16(18,19)20;1-11-5-4-10-17-16(11)19-18-15-13-7-3-2-6-12(13)8-9-14(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;;/h5-9,25H,3-4H2,1-2H3;2-10,20H,1H3;2*1-8,21H;;/b23-22+;19-18+;2*20-19+
• InChIKey: DNPZDGLQKDAJKT-LOIONNJWSA-N
• XLogP: 21.71
• TPSA: 234.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1403.18
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc?

The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc (CID 158301847) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc.

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

The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc is CCN(CC)c1ccc(/N=N/c2ncc(C(F)(F)F)cc2Cl)c(O)c1.Cc1cccnc1/N=N/c1c(O)ccc2ccccc12.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Zn].[Zn].

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

The InChIKey is DNPZDGLQKDAJKT-LOIONNJWSA-N. The full InChI is InChI=1S/C16H16ClF3N4O.C16H13N3O.2C15H9Cl2N3O.2Zn/c1-3-24(4-2)11-5-6-13(14(25)8-11)22-23-15-12(17)7-10(9-21-15)16(18,19)20;1-11-5-4-10-17-16(11)19-18-15-13-7-3-2-6-12(13)8-9-14(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;;/h5-9,25H,3-4H2,1-2H3;2-10,20H,1H3;2*1-8,21H;;/b23-22+;19-18+;2*20-19+;;.

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc has a molecular weight of 1403.18 g/mol, XLogP of 21.71, 11 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]-5-(diethylamino)phenol;bis(1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol);1-[(3-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;zinc is sourced from PubChem (CID 158301847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).