2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol

C20H18N4O2 — CID 136832873

IUPAC2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
SMILESOc1cc(/C=N/Cc2ccccn2)c(O)cc1/C=N/Cc1ccccn1
InChIInChI=1S/C20H18N4O2/c25-19-10-16(12-22-14-18-6-2-4-8-24-18)20(26)9-15(19)11-21-13-17-5-1-3-7-23-17/h1-12,25-26H,13-14H2/b21-11+,22-12+
InChIKeyGBYPJTKOGZCHIN-XHQRYOPUSA-N
MW346.39 g/mol
LogP3.13
Rot. Bonds6

About 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol

2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol (PubChem CID 136832873) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
PubChem CID136832873
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
SMILESOc1cc(/C=N/Cc2ccccn2)c(O)cc1/C=N/Cc1ccccn1
InChIInChI=1S/C20H18N4O2/c25-19-10-16(12-22-14-18-6-2-4-8-24-18)20(26)9-15(19)11-21-13-17-5-1-3-7-23-17/h1-12,25-26H,13-14H2/b21-11+,22-12+
InChIKeyGBYPJTKOGZCHIN-XHQRYOPUSA-N
XLogP3.13
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol 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

nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
CID 171438202
2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
CID 136738932
2,4-ditert-butyl-6-(pyridin-2-ylmethyliminomethyl)aniline
CID 89061491
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
CID 139174160
ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine
CID 91466095
5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol
CID 135828521
dizinc;chloroform;bis(2-chloro-6-(pyridin-2-ylmethyliminomethyl)phenolate);diacetate
CID 139061695
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
4-hydroxy-1-phenyl-3-(pyridin-2-ylmethyliminomethyl)quinolin-2-one
CID 135980152
4-(pyridin-2-ylmethyliminomethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 4601521
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol?
The IUPAC name of 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol (CID 136832873) is 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol.
What is the SMILES notation for 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol?
The canonical SMILES for 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol is Oc1cc(/C=N/Cc2ccccn2)c(O)cc1/C=N/Cc1ccccn1.
What is the InChIKey of 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol?
The InChIKey is GBYPJTKOGZCHIN-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19-10-16(12-22-14-18-6-2-4-8-24-18)20(26)9-15(19)11-21-13-17-5-1-3-7-23-17/h1-12,25-26H,13-14H2/b21-11+,22-12+.
What are the key properties of 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol?
2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol has a molecular weight of 346.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol is sourced from PubChem (CID 136832873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).