copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine

C20H16BrCuN3O3 — CID 139081006

IUPACcopper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine
SMILESC/C(=N\N=C(/[O-])c1ccc(O)cc1)c1cc(Br)ccc1[O-].[Cu+2].c1ccncc1
InChIInChI=1S/C15H13BrN2O3.C5H5N.Cu/c1-9(13-8-11(16)4-7-14(13)20)17-18-15(21)10-2-5-12(19)6-3-10;1-2-4-6-5-3-1;/h2-8,19-20H,1H3,(H,18,21);1-5H;/q;;+2/p-2/b17-9+;;
InChIKeyZWPYEKPIHOVKTR-CECDQNOMSA-L
MW489.82 g/mol
LogP2.84
Rot. Bonds3

About copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine

copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine (PubChem CID 139081006) has the molecular formula C20H16BrCuN3O3 and a molecular weight of 489.82 g/mol. Its IUPAC name is copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine.

Molecular Properties

Compound Namecopper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine
PubChem CID139081006
Molecular FormulaC20H16BrCuN3O3
Molecular Weight489.82 g/mol
Exact Mass487.97
IUPAC Namecopper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine
SMILESC/C(=N\N=C(/[O-])c1ccc(O)cc1)c1cc(Br)ccc1[O-].[Cu+2].c1ccncc1
InChIInChI=1S/C15H13BrN2O3.C5H5N.Cu/c1-9(13-8-11(16)4-7-14(13)20)17-18-15(21)10-2-5-12(19)6-3-10;1-2-4-6-5-3-1;/h2-8,19-20H,1H3,(H,18,21);1-5H;/q;;+2/p-2/b17-9+;;
InChIKeyZWPYEKPIHOVKTR-CECDQNOMSA-L
XLogP2.84
TPSA103.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-2-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 5008754
2-[(E)-2-(5-bromo-2-hydroxyphenyl)vinyl]-1-methylpyridinium
CID 24761569
4-Bromo-2-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
CID 54581977
4-Bromo-6-{[(2-{[2-(pyridin-2-YL)ethyl]sulfanyl}ethyl)amino]methylidene}cyclohexa-2,4-dien-1-one
CID 135888981
4-Bromo-6-({[2-(pyridin-2-yl)ethyl]amino}methylidene)cyclohexa-2,4-dien-1-one
CID 136234177
2-[(4-Bromophenyl)-pyridin-2-ylmethyl]phenol
CID 162650879
4-[(4-Bromophenyl)-pyridin-2-ylmethyl]phenol
CID 162661639
4-Bromo-2-[(4-pyridinylimino)methyl]phenol
CID 872793
4-Bromo-2-{[(pyridin-3-ylmethyl)imino]methyl}phenol
CID 2731272
4-Bromo-2-(pyridin-4-ylmethyliminomethyl)phenol
CID 2731277
2-[(1E)-2-(5-Bromo-2-hydroxyphenyl)ethenyl]-1-methylpyridin-1-ium
CID 6246770
4-Bromo-2-[(3-pyridylimino)methyl]phenol
CID 3355629

Frequently Asked Questions

What is the IUPAC name of copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine?
The IUPAC name of copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine (CID 139081006) is copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine.
What is the SMILES notation for copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine?
The canonical SMILES for copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine is C/C(=N\N=C(/[O-])c1ccc(O)cc1)c1cc(Br)ccc1[O-].[Cu+2].c1ccncc1.
What is the InChIKey of copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine?
The InChIKey is ZWPYEKPIHOVKTR-CECDQNOMSA-L. The full InChI is InChI=1S/C15H13BrN2O3.C5H5N.Cu/c1-9(13-8-11(16)4-7-14(13)20)17-18-15(21)10-2-5-12(19)6-3-10;1-2-4-6-5-3-1;/h2-8,19-20H,1H3,(H,18,21);1-5H;/q;;+2/p-2/b17-9+;;.
What are the key properties of copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine?
copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine has a molecular weight of 489.82 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(NE,1Z)-N-[1-(5-bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzenecarbohydrazonate;pyridine is sourced from PubChem (CID 139081006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).