benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol

C19H18N2O4V — CID 171438202

IUPACbenzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
SMILESO=[V].Oc1ccccc1/C=N/Cc1ccccn1.Oc1ccccc1O
InChIInChI=1S/C13H12N2O.C6H6O2.O.V/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;7-5-3-1-2-4-6(5)8;;/h1-9,16H,10H2;1-4,7-8H;;/b14-9+;;;
InChIKeyFKBJLRQGRBYBHH-LQFHBUQSSA-N
MW389.31 g/mol
LogP3.38
Rot. Bonds3

About benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol

benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol (PubChem CID 171438202) has the molecular formula C19H18N2O4V and a molecular weight of 389.31 g/mol. Its IUPAC name is benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Namebenzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
PubChem CID171438202
Molecular FormulaC19H18N2O4V
Molecular Weight389.31 g/mol
Exact Mass389.07
IUPAC Namebenzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
SMILESO=[V].Oc1ccccc1/C=N/Cc1ccccn1.Oc1ccccc1O
InChIInChI=1S/C13H12N2O.C6H6O2.O.V/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;7-5-3-1-2-4-6(5)8;;/h1-9,16H,10H2;1-4,7-8H;;/b14-9+;;;
InChIKeyFKBJLRQGRBYBHH-LQFHBUQSSA-N
XLogP3.38
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
CID 136832873
nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
CID 136738932
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
dizinc;chloroform;bis(2-chloro-6-(pyridin-2-ylmethyliminomethyl)phenolate);diacetate
CID 139061695
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
N'-[(2-hydroxyphenyl)methylideneamino]-N-(pyridin-2-ylmethyl)oxamide
CID 2248739
2,4-ditert-butyl-6-(pyridin-2-ylmethyliminomethyl)aniline
CID 89061491
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol?
The IUPAC name of benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol (CID 171438202) is benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol?
The canonical SMILES for benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol is O=[V].Oc1ccccc1/C=N/Cc1ccccn1.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol?
The InChIKey is FKBJLRQGRBYBHH-LQFHBUQSSA-N. The full InChI is InChI=1S/C13H12N2O.C6H6O2.O.V/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;7-5-3-1-2-4-6(5)8;;/h1-9,16H,10H2;1-4,7-8H;;/b14-9+;;;.
What are the key properties of benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol?
benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol has a molecular weight of 389.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 171438202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).