2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium

C18H15N4O3V-5 — CID 139160031

IUPAC2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
SMILES[NH-]c1ccccc1[O-].[O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[V]
InChIInChI=1S/C12H11N3O.C6H6NO.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;-1;-2;/p-2/b14-9+;;;
InChIKeyZMSYPHFEZYPDGL-LQFHBUQSSA-L
MW386.29 g/mol
LogP2.92
Rot. Bonds3

About 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium

2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium (PubChem CID 139160031) has the molecular formula C18H15N4O3V-5 and a molecular weight of 386.29 g/mol. Its IUPAC name is 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium.

Molecular Properties

Compound Name2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
PubChem CID139160031
Molecular FormulaC18H15N4O3V-5
Molecular Weight386.29 g/mol
Exact Mass386.06
IUPAC Name2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
SMILES[NH-]c1ccccc1[O-].[O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[V]
InChIInChI=1S/C12H11N3O.C6H6NO.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;-1;-2;/p-2/b14-9+;;;
InChIKeyZMSYPHFEZYPDGL-LQFHBUQSSA-L
XLogP2.92
TPSA135.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

benzene-1,2-diolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
CID 139139813
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
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
dichloromethane;iron(3+);bis(2-[(E)-[phenyl(pyridin-2-yl)hydrazinylidene]methyl]phenolate);perchlorate
CID 139192288
dicopper;dioxidanium;bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate;hydrate
CID 168338098
Copper;2-[(2-oxidophenyl)iminomethyl]phenolate;pyridin-4-amine
CID 168342358
bis(5-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);manganese(2+)
CID 54601709
cobalt(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 54602046

Frequently Asked Questions

What is the IUPAC name of 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The IUPAC name of 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium (CID 139160031) is 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium.
What is the SMILES notation for 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The canonical SMILES for 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium is [NH-]c1ccccc1[O-].[O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[V].
What is the InChIKey of 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The InChIKey is ZMSYPHFEZYPDGL-LQFHBUQSSA-L. The full InChI is InChI=1S/C12H11N3O.C6H6NO.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;-1;-2;/p-2/b14-9+;;;.
What are the key properties of 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium has a molecular weight of 386.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium is sourced from PubChem (CID 139160031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).