zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate

C14H14BrClN2O6Zn — CID 139067924

IUPACzinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate
SMILESCO.[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc(Br)cc1/C=N/Cc1ccccn1.[Zn+2]
InChIInChI=1S/C13H11BrN2O.CH4O.ClHO4.Zn/c14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12;1-2;2-1(3,4)5;/h1-8,17H,9H2;2H,1H3;(H,2,3,4,5);/q;;;+2/p-2/b15-8+;;;
InChIKeyUTISCWNTXDOZRE-BAESOZIDSA-L
MW487.02 g/mol
LogP-2.61
Rot. Bonds3

About zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate

zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate (PubChem CID 139067924) has the molecular formula C14H14BrClN2O6Zn and a molecular weight of 487.02 g/mol. Its IUPAC name is zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate.

Molecular Properties

Compound Namezinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate
PubChem CID139067924
Molecular FormulaC14H14BrClN2O6Zn
Molecular Weight487.02 g/mol
Exact Mass483.90
IUPAC Namezinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate
SMILESCO.[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc(Br)cc1/C=N/Cc1ccccn1.[Zn+2]
InChIInChI=1S/C13H11BrN2O.CH4O.ClHO4.Zn/c14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12;1-2;2-1(3,4)5;/h1-8,17H,9H2;2H,1H3;(H,2,3,4,5);/q;;;+2/p-2/b15-8+;;;
InChIKeyUTISCWNTXDOZRE-BAESOZIDSA-L
XLogP-2.61
TPSA160.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 5-2.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(pyridin-2-yl)ethyl]amino}methylidene)cyclohexa-2,4-dien-1-one
CID 136234177
1-(5-bromo-2-methoxybenzyl)-4-[(1-methyl-1H-pyrrol-2-yl)methyl]piperazine
CID 1360515
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
2-[[Bis(pyridin-2-ylmethyl)amino]methyl]-4-bromophenol
CID 15842972
4-Bromo-2-(2-pyridinyl)phenol
CID 136808154

Frequently Asked Questions

What is the IUPAC name of zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate?
The IUPAC name of zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate (CID 139067924) is zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate.
What is the SMILES notation for zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate?
The canonical SMILES for zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate is CO.[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc(Br)cc1/C=N/Cc1ccccn1.[Zn+2].
What is the InChIKey of zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate?
The InChIKey is UTISCWNTXDOZRE-BAESOZIDSA-L. The full InChI is InChI=1S/C13H11BrN2O.CH4O.ClHO4.Zn/c14-11-4-5-13(17)10(7-11)8-15-9-12-3-1-2-6-16-12;1-2;2-1(3,4)5;/h1-8,17H,9H2;2H,1H3;(H,2,3,4,5);/q;;;+2/p-2/b15-8+;;;.
What are the key properties of zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate?
zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate has a molecular weight of 487.02 g/mol, XLogP of -2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-bromo-2-(pyridin-2-ylmethyliminomethyl)phenolate;methanol;perchlorate is sourced from PubChem (CID 139067924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).