copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate

C21H19Cl3CuN2O3 — CID 139173367

IUPACcopper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate
SMILESCC(=O)[O-].ClC(Cl)Cl.[Cu+2].[O-]c1ccc2ccccc2c1/C=N/CCc1ccccn1
InChIInChI=1S/C18H16N2O.C2H4O2.CHCl3.Cu/c21-18-9-8-14-5-1-2-7-16(14)17(18)13-19-12-10-15-6-3-4-11-20-15;1-2(3)4;2-1(3)4;/h1-9,11,13,21H,10,12H2;1H3,(H,3,4);1H;/q;;;+2/p-2/b19-13+;;;
InChIKeyYNLBCUVREBJRRF-KOVSQTEASA-L
MW517.30 g/mol
LogP3.71
Rot. Bonds4

About copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate

copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate (PubChem CID 139173367) has the molecular formula C21H19Cl3CuN2O3 and a molecular weight of 517.30 g/mol. Its IUPAC name is copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate.

Molecular Properties

Compound Namecopper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate
PubChem CID139173367
Molecular FormulaC21H19Cl3CuN2O3
Molecular Weight517.30 g/mol
Exact Mass514.98
IUPAC Namecopper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate
SMILESCC(=O)[O-].ClC(Cl)Cl.[Cu+2].[O-]c1ccc2ccccc2c1/C=N/CCc1ccccn1
InChIInChI=1S/C18H16N2O.C2H4O2.CHCl3.Cu/c21-18-9-8-14-5-1-2-7-16(14)17(18)13-19-12-10-15-6-3-4-11-20-15;1-2(3)4;2-1(3)4;/h1-9,11,13,21H,10,12H2;1H3,(H,3,4);1H;/q;;;+2/p-2/b19-13+;;;
InChIKeyYNLBCUVREBJRRF-KOVSQTEASA-L
XLogP3.71
TPSA88.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(2-Hydroxynaphthalen-1-yl)-pyridin-4-ylmethyl]piperidin-4-yl] acetate
CID 56658707
[1-[(2-Hydroxynaphthalen-1-yl)-pyridin-2-ylmethyl]piperidin-4-yl] acetate
CID 56682559
1-[(4-Hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 162646914
(5-Hydroxy-1-isoquinolin-1-yl-8-methyl-9,10-dihydrophenanthren-9-yl)methyl acetate
CID 168288646
(5-Hydroxy-1-isoquinolin-3-yl-8-methyl-9,10-dihydrophenanthren-9-yl)methyl acetate
CID 168297514
(S)-3,3'-Di(pyridin-2-yl)-[1,1'-binapthalene]-2,2'-diol
CID 135481002
1-(Isoquinolin-1-yl)naphthalen-2-ol
CID 135454774
4,5-Di(pyridin-2-yl)phenanthrene-3,6-diyl diborodifluoridate
CID 91744380
2,7-Dimethyl-4,5-di(pyridin-2-yl)phenanthrene-3,6-diyl diborodifluoridate
CID 91745780
1-(8-Fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12,14,16-octaen-8-yl)-2,2-dimethylpropan-1-one
CID 162488209
1-(8-Fluoro-9-oxa-7-azonia-8-boranuidatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-yl)-2,2-dimethylpropan-1-one
CID 162488222
(1-Pyridin-2-ylnaphthalen-2-yl) acetate
CID 322365

Frequently Asked Questions

What is the IUPAC name of copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate?
The IUPAC name of copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate (CID 139173367) is copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate.
What is the SMILES notation for copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate?
The canonical SMILES for copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate is CC(=O)[O-].ClC(Cl)Cl.[Cu+2].[O-]c1ccc2ccccc2c1/C=N/CCc1ccccn1.
What is the InChIKey of copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate?
The InChIKey is YNLBCUVREBJRRF-KOVSQTEASA-L. The full InChI is InChI=1S/C18H16N2O.C2H4O2.CHCl3.Cu/c21-18-9-8-14-5-1-2-7-16(14)17(18)13-19-12-10-15-6-3-4-11-20-15;1-2(3)4;2-1(3)4;/h1-9,11,13,21H,10,12H2;1H3,(H,3,4);1H;/q;;;+2/p-2/b19-13+;;;.
What are the key properties of copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate?
copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate has a molecular weight of 517.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;chloroform;1-(2-pyridin-2-ylethyliminomethyl)naphthalen-2-olate;acetate is sourced from PubChem (CID 139173367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).