zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate

C19H13N3O2Zn — CID 139077636

IUPACzinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate
SMILES[O-]c1ccccc1/C=N/c1ccncc1/N=C/c1ccccc1[O-].[Zn+2]
InChIInChI=1S/C19H15N3O2.Zn/c23-18-7-3-1-5-14(18)11-21-16-9-10-20-13-17(16)22-12-15-6-2-4-8-19(15)24;/h1-13,23-24H;/q;+2/p-2/b21-11+,22-12+;
InChIKeyHRXNYXWFMZMZHL-XHPUXTPKSA-L
MW380.72 g/mol
LogP2.73
Rot. Bonds4

About zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate

zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate (PubChem CID 139077636) has the molecular formula C19H13N3O2Zn and a molecular weight of 380.72 g/mol. Its IUPAC name is zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate.

Molecular Properties

Compound Namezinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate
PubChem CID139077636
Molecular FormulaC19H13N3O2Zn
Molecular Weight380.72 g/mol
Exact Mass379.03
IUPAC Namezinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate
SMILES[O-]c1ccccc1/C=N/c1ccncc1/N=C/c1ccccc1[O-].[Zn+2]
InChIInChI=1S/C19H15N3O2.Zn/c23-18-7-3-1-5-14(18)11-21-16-9-10-20-13-17(16)22-12-15-6-2-4-8-19(15)24;/h1-13,23-24H;/q;+2/p-2/b21-11+,22-12+;
InChIKeyHRXNYXWFMZMZHL-XHPUXTPKSA-L
XLogP2.73
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.72
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxybenzylidene)pyridin-4-amine
CID 3353282
2-[(3-Pyridylimino)methyl]phenol
CID 279907
2,2'-[(2,2'-Bipyridine-3,3'-diyl)bis(nitrilomethylidyne)]diphenol
CID 136701704
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
ZINC;2-tert-butyl-6-[[3-[(3-tert-butyl-2-oxidophenyl)methylideneamino]-1-methylpyridin-1-ium-4-yl]iminomethyl]phenolate;methanol;iodide
CID 139043421
[2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato-kappa^4^O,N,N',O'](pyridine-kappaN)zinc(II)
CID 139072073
(Dicyanamido)[2-(2-pyridylmethyliminomethyl)phenolato]copper(II) monohydrate
CID 139074100
1385 MS4 [Co(salophen)(py)2]ClO4
CID 139076984
Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate
CID 139085988
trans-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(4-methylpyridine-kappaN)(nitro-kappaN)cobalt(III)
CID 139088712
(salen)Zn(py)
CID 139128919
[UO2(salophen)(py)]
CID 139156365

Frequently Asked Questions

What is the IUPAC name of zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate?
The IUPAC name of zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate (CID 139077636) is zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate.
What is the SMILES notation for zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate?
The canonical SMILES for zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate is [O-]c1ccccc1/C=N/c1ccncc1/N=C/c1ccccc1[O-].[Zn+2].
What is the InChIKey of zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate?
The InChIKey is HRXNYXWFMZMZHL-XHPUXTPKSA-L. The full InChI is InChI=1S/C19H15N3O2.Zn/c23-18-7-3-1-5-14(18)11-21-16-9-10-20-13-17(16)22-12-15-6-2-4-8-19(15)24;/h1-13,23-24H;/q;+2/p-2/b21-11+,22-12+;.
What are the key properties of zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate?
zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate has a molecular weight of 380.72 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-[[3-[(2-oxidophenyl)methylideneamino]-4-pyridinyl]iminomethyl]phenolate is sourced from PubChem (CID 139077636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).