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

C15H16CuN2O4 — CID 139056333

IUPACcopper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate
SMILESCc1ccccn1.O.O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C9H9NO3.C6H7N.Cu.H2O/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-6-4-2-3-5-7-6;;/h1-5,11H,6H2,(H,12,13);2-5H,1H3;;1H2/q;;+2;/p-2/b10-5+;;;
InChIKeyLRVOJHGAWCJSAQ-RWWJYAHQSA-L
MW351.85 g/mol
LogP-0.51
Rot. Bonds3

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

copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate (PubChem CID 139056333) has the molecular formula C15H16CuN2O4 and a molecular weight of 351.85 g/mol. Its IUPAC name is copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate.

Molecular Properties

Compound Namecopper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate
PubChem CID139056333
Molecular FormulaC15H16CuN2O4
Molecular Weight351.85 g/mol
Exact Mass351.04
IUPAC Namecopper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate
SMILESCc1ccccn1.O.O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C9H9NO3.C6H7N.Cu.H2O/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-6-4-2-3-5-7-6;;/h1-5,11H,6H2,(H,12,13);2-5H,1H3;;1H2/q;;+2;/p-2/b10-5+;;;
InChIKeyLRVOJHGAWCJSAQ-RWWJYAHQSA-L
XLogP-0.51
TPSA119.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 5-0.51
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

Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
2-[[[2-(2-Pyridinyl)ethyl]imino]methyl]phenol
CID 136151174
2-[(E)-[(E)-2-pyridylmethylenehydrazono]methyl]phenol
CID 135537315
N-salicylidene-2-pyridylmethylamine
CID 3552663
[(E)-[(4-fluoro-2-hydroxyphenyl)-pyridin-4-ylmethylidene]amino] acetate
CID 141831572
2-Pyridin-2-ylphenol;2,2,2-trifluoroacetic acid
CID 175838971
Oxalic acid;2-[(pyridin-2-ylmethylamino)methyl]phenol
CID 126459990
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

Frequently Asked Questions

What is the IUPAC name of copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate?
The IUPAC name of copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate (CID 139056333) is copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate.
What is the SMILES notation for copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate?
The canonical SMILES for copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate is Cc1ccccn1.O.O=C([O-])C/N=C/c1ccccc1[O-].[Cu+2].
What is the InChIKey of copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate?
The InChIKey is LRVOJHGAWCJSAQ-RWWJYAHQSA-L. The full InChI is InChI=1S/C9H9NO3.C6H7N.Cu.H2O/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;1-6-4-2-3-5-7-6;;/h1-5,11H,6H2,(H,12,13);2-5H,1H3;;1H2/q;;+2;/p-2/b10-5+;;;.
What are the key properties of copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate?
copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate has a molecular weight of 351.85 g/mol, XLogP of -0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-methylpyridine;2-[(2-oxidophenyl)methylideneamino]acetate;hydrate is sourced from PubChem (CID 139056333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).