1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel

C31H22Cl2N6NiO2 — CID 135718526

IUPAC1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel
SMILESCc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Ni]
InChIInChI=1S/C16H13N3O.C15H9Cl2N3O.Ni/c1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)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+;
InChIKeyMXRPIWCIIRGRJS-DWULKELFSA-N
MW640.16 g/mol
LogP10.32
Rot. Bonds4

About 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel

1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel (PubChem CID 135718526) has the molecular formula C31H22Cl2N6NiO2 and a molecular weight of 640.16 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel
PubChem CID135718526
Molecular FormulaC31H22Cl2N6NiO2
Molecular Weight640.16 g/mol
Exact Mass638.05
IUPAC Name1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel
SMILESCc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Ni]
InChIInChI=1S/C16H13N3O.C15H9Cl2N3O.Ni/c1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)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+;
InChIKeyMXRPIWCIIRGRJS-DWULKELFSA-N
XLogP10.32
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.16
LogP ≤ 510.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Pyridylazo)-2-naphthol
CID 6825
5-[[(5-Chloropyridin-2-yl)amino]methyl]quinolin-8-ol
CID 1090302
Copper PAN
CID 135884961
2,7-Naphthalenediol, 1-(5-(1-methylpiperidin-2-yl)-2-pyridylazol)-
CID 171384687
1-(2-Pyridylazo)-2,7-dihydroxynaphthalene
CID 136461959
Copper(II)bis[1-(2-pyridylazo)naphthalene-2-olate]
CID 101973286
10-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;ZINC
CID 135718512
10-[3-Chloro-5-(trifluoro-methyl)-2-pyridylazo]-9-phenanthrol
CID 135718513
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;ZINC
CID 135718532
1-(3-Chloro-5-(trifluoro-methyl)-2-pyridylazo)-2-naphthol
CID 135718533
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;ZINC
CID 135718534
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;copper;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol
CID 135718535

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel?
The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel (CID 135718526) is 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel.
What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel?
The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel is Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.[Ni].
What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel?
The InChIKey is MXRPIWCIIRGRJS-DWULKELFSA-N. The full InChI is InChI=1S/C16H13N3O.C15H9Cl2N3O.Ni/c1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)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-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel?
1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel has a molecular weight of 640.16 g/mol, XLogP of 10.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel is sourced from PubChem (CID 135718526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).