copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate

C16H18CuN2O4 — CID 139056181

IUPACcopper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate
SMILESCCc1ccccn1.O.O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C9H9NO3.C7H9N.Cu.H2O/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-2-7-5-3-4-6-8-7;;/h1-5,11H,6H2,(H,12,13);3-6H,2H2,1H3;;1H2/q;;+2;/p-2/b10-5+;;;
InChIKeyDSLOHQCIVFVHKX-RWWJYAHQSA-L
MW365.88 g/mol
LogP-0.25
Rot. Bonds4

About copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate

copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate (PubChem CID 139056181) has the molecular formula C16H18CuN2O4 and a molecular weight of 365.88 g/mol. Its IUPAC name is copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate.

Molecular Properties

Compound Namecopper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate
PubChem CID139056181
Molecular FormulaC16H18CuN2O4
Molecular Weight365.88 g/mol
Exact Mass365.06
IUPAC Namecopper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate
SMILESCCc1ccccn1.O.O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C9H9NO3.C7H9N.Cu.H2O/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-2-7-5-3-4-6-8-7;;/h1-5,11H,6H2,(H,12,13);3-6H,2H2,1H3;;1H2/q;;+2;/p-2/b10-5+;;;
InChIKeyDSLOHQCIVFVHKX-RWWJYAHQSA-L
XLogP-0.25
TPSA119.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-(2-Pyridinyl)ethyl]imino]methyl]phenol
CID 136151174
2-[(E)-[(E)-2-pyridylmethylenehydrazono]methyl]phenol
CID 135537315
2-[(E)-(5-pyridin-3-yl-2,3-dihydropyrrol-4-ylidene)methyl]phenol
CID 136244999
(4Z)-2-[(1E)-2-(2-Methoxyphenyl)ethenyl]-4-[(pyridin-3-YL)methylidene]-4,5-dihydro-1,3-oxazol-5-one
CID 5787506
2-[[3-[(2-Hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol
CID 136669190
2-[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 91387442
Benzooxazepinoquinoline
CID 129855761
(E)-N-(2-methylphenoxy)-1-phenyl-1-pyridin-2-ylmethanimine
CID 134845574
2-(2,2-Dimethyl-1,2-benzoxasilin-3-yl)pyridine
CID 134963270
2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
CID 135404183
2-(3-Methyl-2-pyridinyl)phenolate
CID 138963356
Aqua(2,3-dimethylpyridine)(N-salicylideneglycinato)copper(II)
CID 139055888

Frequently Asked Questions

What is the IUPAC name of copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate?
The IUPAC name of copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate (CID 139056181) is copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate.
What is the SMILES notation for copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate?
The canonical SMILES for copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate is CCc1ccccn1.O.O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2].
What is the InChIKey of copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate?
The InChIKey is DSLOHQCIVFVHKX-RWWJYAHQSA-L. The full InChI is InChI=1S/C9H9NO3.C7H9N.Cu.H2O/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-2-7-5-3-4-6-8-7;;/h1-5,11H,6H2,(H,12,13);3-6H,2H2,1H3;;1H2/q;;+2;/p-2/b10-5+;;;.
What are the key properties of copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate?
copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate has a molecular weight of 365.88 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-ethylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate is sourced from PubChem (CID 139056181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).