benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium

C18H14N3O4V-5 — CID 139139813

IUPACbenzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
SMILES[O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[O-]c1ccccc1[O-].[V]
InChIInChI=1S/C12H11N3O.C6H6O2.O.V/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12;7-5-3-1-2-4-6(5)8;;/h1-9,16H,(H,13,15);1-4,7-8H;;/q;;-2;/p-3/b14-9+;;;
InChIKeyGTUXVQYDVGJMQE-LQFHBUQSSA-K
MW387.27 g/mol
LogP1.31
Rot. Bonds3

About benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium

benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium (PubChem CID 139139813) has the molecular formula C18H14N3O4V-5 and a molecular weight of 387.27 g/mol. Its IUPAC name is benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium.

Molecular Properties

Compound Namebenzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
PubChem CID139139813
Molecular FormulaC18H14N3O4V-5
Molecular Weight387.27 g/mol
Exact Mass387.05
IUPAC Namebenzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
SMILES[O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[O-]c1ccccc1[O-].[V]
InChIInChI=1S/C12H11N3O.C6H6O2.O.V/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12;7-5-3-1-2-4-6(5)8;;/h1-9,16H,(H,13,15);1-4,7-8H;;/q;;-2;/p-3/b14-9+;;;
InChIKeyGTUXVQYDVGJMQE-LQFHBUQSSA-K
XLogP1.31
TPSA134.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(2-pyridylhydrazono)methyl]phenol
CID 135439965
Benzaldehyde, 2,3-dihydroxy-, 2-pyridinylhydrazone
CID 135537314
Salicylaldehyde, 2-pyridylhydrazone
CID 135400279
3,5-ditert-butylbenzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
CID 139139814
benzene-1,2-diolate;2,4-ditert-butyl-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;oxygen(2-);vanadium
CID 139139815
3,5-ditert-butylbenzene-1,2-diolate;2,4-ditert-butyl-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;oxygen(2-);vanadium
CID 139139816
2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
CID 139160031
2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
CID 139160032
2-azanidylphenolate;2,4-ditert-butyl-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;oxygen(2-);vanadium
CID 139160033
2-azanidyl-4-tert-butylphenolate;2,4-ditert-butyl-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;oxygen(2-);vanadium
CID 139160034
manganese(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 139161130
dicopper;dioxidanium;bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate;hydrate
CID 168338098

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The IUPAC name of benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium (CID 139139813) is benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium.
What is the SMILES notation for benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The canonical SMILES for benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium is [O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[O-]c1ccccc1[O-].[V].
What is the InChIKey of benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The InChIKey is GTUXVQYDVGJMQE-LQFHBUQSSA-K. The full InChI is InChI=1S/C12H11N3O.C6H6O2.O.V/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12;7-5-3-1-2-4-6(5)8;;/h1-9,16H,(H,13,15);1-4,7-8H;;/q;;-2;/p-3/b14-9+;;;.
What are the key properties of benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium has a molecular weight of 387.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium is sourced from PubChem (CID 139139813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).