zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)

C32H24N6O2Zn — CID 21263639

IUPACzinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)
SMILESCc1ccnc(/N=N/c2c([O-])ccc3ccccc23)c1.Cc1ccnc(/N=N/c2c([O-])ccc3ccccc23)c1.[Zn+2]
InChIInChI=1S/2C16H13N3O.Zn/c2*1-11-8-9-17-15(10-11)18-19-16-13-5-3-2-4-12(13)6-7-14(16)20;/h2*2-10,20H,1H3;/q;;+2/p-2/b2*19-18+;
InChIKeyXSKZFMFPRKQUDI-VFUQPONKSA-L
MW589.97 g/mol
LogP8.06
Rot. Bonds4

About zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)

zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate) (PubChem CID 21263639) has the molecular formula C32H24N6O2Zn and a molecular weight of 589.97 g/mol. Its IUPAC name is zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate).

Molecular Properties

Compound Namezinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)
PubChem CID21263639
Molecular FormulaC32H24N6O2Zn
Molecular Weight589.97 g/mol
Exact Mass588.13
IUPAC Namezinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)
SMILESCc1ccnc(/N=N/c2c([O-])ccc3ccccc23)c1.Cc1ccnc(/N=N/c2c([O-])ccc3ccccc23)c1.[Zn+2]
InChIInChI=1S/2C16H13N3O.Zn/c2*1-11-8-9-17-15(10-11)18-19-16-13-5-3-2-4-12(13)6-7-14(16)20;/h2*2-10,20H,1H3;/q;;+2/p-2/b2*19-18+;
InChIKeyXSKZFMFPRKQUDI-VFUQPONKSA-L
XLogP8.06
TPSA121.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.97
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

1-(2-Pyridylazo)-2-naphthol
CID 6825
Copper PAN
CID 135884961
1-Ethyl-3-((2-hydroxynaphthyl)azo)pyridinium tetrachlorozincate (2:1)
CID 136086487
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
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;copper;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol
CID 135718535
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel
CID 135718536
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;ZINC
CID 135718537
NiAZOnaphtholate
CID 139075908
Manganese(2+);bis(10-(pyridin-2-yldiazenyl)phenanthren-9-olate)
CID 139140410
Bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetraethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol;hydrate
CID 139199237

Frequently Asked Questions

What is the IUPAC name of zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)?
The IUPAC name of zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate) (CID 21263639) is zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate).
What is the SMILES notation for zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)?
The canonical SMILES for zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate) is Cc1ccnc(/N=N/c2c([O-])ccc3ccccc23)c1.Cc1ccnc(/N=N/c2c([O-])ccc3ccccc23)c1.[Zn+2].
What is the InChIKey of zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)?
The InChIKey is XSKZFMFPRKQUDI-VFUQPONKSA-L. The full InChI is InChI=1S/2C16H13N3O.Zn/c2*1-11-8-9-17-15(10-11)18-19-16-13-5-3-2-4-12(13)6-7-14(16)20;/h2*2-10,20H,1H3;/q;;+2/p-2/b2*19-18+;.
What are the key properties of zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate)?
zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate) has a molecular weight of 589.97 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-2-olate) is sourced from PubChem (CID 21263639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).