copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate

C15H13CuN5O2 — CID 139074100

IUPACcopper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate
SMILESN#CN=C=[N-].O.[Cu+2].[O-]c1ccccc1/C=N/Cc1ccccn1
InChIInChI=1S/C13H12N2O.C2N3.Cu.H2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;3-1-5-2-4;;/h1-9,16H,10H2;;;1H2/q;-1;+2;/p-1/b14-9+;;;
InChIKeyLLVOEIWHVXMIBW-LQFHBUQSSA-M
MW358.85 g/mol
LogP1.16
Rot. Bonds3

About copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate

copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate (PubChem CID 139074100) has the molecular formula C15H13CuN5O2 and a molecular weight of 358.85 g/mol. Its IUPAC name is copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate.

Molecular Properties

Compound Namecopper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate
PubChem CID139074100
Molecular FormulaC15H13CuN5O2
Molecular Weight358.85 g/mol
Exact Mass358.04
IUPAC Namecopper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate
SMILESN#CN=C=[N-].O.[Cu+2].[O-]c1ccccc1/C=N/Cc1ccccn1
InChIInChI=1S/C13H12N2O.C2N3.Cu.H2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;3-1-5-2-4;;/h1-9,16H,10H2;;;1H2/q;-1;+2;/p-1/b14-9+;;;
InChIKeyLLVOEIWHVXMIBW-LQFHBUQSSA-M
XLogP1.16
TPSA138.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
2-[[[2-(2-Pyridinyl)ethyl]imino]methyl]phenol
CID 136151174
2-[(3-Pyridylimino)methyl]phenol
CID 279907
2-[(E)-[(E)-2-pyridylmethylenehydrazono]methyl]phenol
CID 135537315
2-[(E)-(5-pyridin-3-yl-2,3-dihydropyrrol-4-ylidene)methyl]phenol
CID 136244999
N-salicylidene-2-pyridylmethylamine
CID 3552663
n,n-Bis(2-hydroxybenzyl)-2-picolylamine
CID 15301349
Lithium 2-(2-pyridyl)phenolate
CID 59522969
N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide
CID 142975696
N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 142975699
N'-(4-hydroxybenzylidene)-2-pyridinecarboximidohydrazide
CID 136219746

Frequently Asked Questions

What is the IUPAC name of copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate?
The IUPAC name of copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate (CID 139074100) is copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate.
What is the SMILES notation for copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate?
The canonical SMILES for copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate is N#CN=C=[N-].O.[Cu+2].[O-]c1ccccc1/C=N/Cc1ccccn1.
What is the InChIKey of copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate?
The InChIKey is LLVOEIWHVXMIBW-LQFHBUQSSA-M. The full InChI is InChI=1S/C13H12N2O.C2N3.Cu.H2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;3-1-5-2-4;;/h1-9,16H,10H2;;;1H2/q;-1;+2;/p-1/b14-9+;;;.
What are the key properties of copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate?
copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate has a molecular weight of 358.85 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cyanoiminomethylideneazanide;2-(pyridin-2-ylmethyliminomethyl)phenolate;hydrate is sourced from PubChem (CID 139074100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).