zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate

C17H13N3O4Zn — CID 139067441

IUPACzinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate
SMILESO=[N+]([O-])[O-].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1.[Zn+2]
InChIInChI=1S/C17H14N2O.NO3.Zn/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;2-1(3)4;/h1-10,12,20H,11H2;;/q;-1;+2/p-1/b18-12+;;
InChIKeyPKOVHAMMAZWHIQ-JKXROLASSA-M
MW388.70 g/mol
LogP2.69
Rot. Bonds3

About zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate

zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate (PubChem CID 139067441) has the molecular formula C17H13N3O4Zn and a molecular weight of 388.70 g/mol. Its IUPAC name is zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate.

Molecular Properties

Compound Namezinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate
PubChem CID139067441
Molecular FormulaC17H13N3O4Zn
Molecular Weight388.70 g/mol
Exact Mass387.02
IUPAC Namezinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate
SMILESO=[N+]([O-])[O-].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1.[Zn+2]
InChIInChI=1S/C17H14N2O.NO3.Zn/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;2-1(3)4;/h1-10,12,20H,11H2;;/q;-1;+2/p-1/b18-12+;;
InChIKeyPKOVHAMMAZWHIQ-JKXROLASSA-M
XLogP2.69
TPSA114.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-N-hydroxy-C-[(E)-2-pyridin-3-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094869
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-4-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094870
3-[(E)-N-hydroxy-C-[(E)-2-pyridin-2-ylethenyl]carbonimidoyl]naphthalen-2-ol
CID 136094875
1-{[(3-Pyridinylmethyl)imino]methyl}-2-naphthol
CID 708864
1-[(2-Hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-ol
CID 56675931
1-[(4-Hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 162646914
1-(3-Pyridylmethyliminomethyl)-2-naphthol
CID 137146492
1-Pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol
CID 137348646
1-(Isoquinolin-1-yl)naphthalen-2-ol
CID 135454774
1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine
CID 142975922
N'-[(2-hydroxy-1-naphthyl)methylene]-2-pyridinecarboximidohydrazide
CID 137082071
1-(Pyridin-2-yl)naphthalen-2-ol
CID 136163178

Frequently Asked Questions

What is the IUPAC name of zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate?
The IUPAC name of zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate (CID 139067441) is zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate.
What is the SMILES notation for zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate?
The canonical SMILES for zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate is O=[N+]([O-])[O-].[O-]c1ccc2ccccc2c1/C=N/Cc1ccccn1.[Zn+2].
What is the InChIKey of zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate?
The InChIKey is PKOVHAMMAZWHIQ-JKXROLASSA-M. The full InChI is InChI=1S/C17H14N2O.NO3.Zn/c20-17-9-8-13-5-1-2-7-15(13)16(17)12-18-11-14-6-3-4-10-19-14;2-1(3)4;/h1-10,12,20H,11H2;;/q;-1;+2/p-1/b18-12+;;.
What are the key properties of zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate?
zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate has a molecular weight of 388.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-(pyridin-2-ylmethyliminomethyl)naphthalen-2-olate;nitrate is sourced from PubChem (CID 139067441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).