2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium

C22H23N4O3V-5 — CID 139160032

IUPAC2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
SMILESCC(C)(C)c1ccc([O-])c([NH-])c1.[O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[V]
InChIInChI=1S/C12H11N3O.C10H14NO.O.V/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12;1-10(2,3)7-4-5-9(12)8(11)6-7;;/h1-9,16H,(H,13,15);4-6,11-12H,1-3H3;;/q;-1;-2;/p-2/b14-9+;;;
InChIKeyAJRCZAGTESPDOW-LQFHBUQSSA-L
MW442.40 g/mol
LogP4.22
Rot. Bonds3

About 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium

2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium (PubChem CID 139160032) has the molecular formula C22H23N4O3V-5 and a molecular weight of 442.40 g/mol. Its IUPAC name is 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium.

Molecular Properties

Compound Name2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
PubChem CID139160032
Molecular FormulaC22H23N4O3V-5
Molecular Weight442.40 g/mol
Exact Mass442.12
IUPAC Name2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
SMILESCC(C)(C)c1ccc([O-])c([NH-])c1.[O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[V]
InChIInChI=1S/C12H11N3O.C10H14NO.O.V/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12;1-10(2,3)7-4-5-9(12)8(11)6-7;;/h1-9,16H,(H,13,15);4-6,11-12H,1-3H3;;/q;-1;-2;/p-2/b14-9+;;;
InChIKeyAJRCZAGTESPDOW-LQFHBUQSSA-L
XLogP4.22
TPSA135.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.22
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

Bis(2-azanidyl-4,6-ditert-butylphenolate);carbon monoxide;2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate;rhenium
CID 139136017
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
3,5-ditert-butylbenzene-1,2-diolate;2,4-ditert-butyl-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;oxygen(2-);vanadium
CID 139139816
Bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);molybdenum;bis(oxygen(2-))
CID 139142974
Chromium(2+);bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate)
CID 139142975
Chromium(3+);bis(2,4-ditert-butyl-6-(pyridin-2-yldiazenyl)phenolate);triiodide
CID 139142976
2-azanidylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium
CID 139160031
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

Frequently Asked Questions

What is the IUPAC name of 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The IUPAC name of 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium (CID 139160032) is 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium.
What is the SMILES notation for 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The canonical SMILES for 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium is CC(C)(C)c1ccc([O-])c([NH-])c1.[O-2].[O-]c1ccccc1/C=N/Nc1ccccn1.[V].
What is the InChIKey of 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
The InChIKey is AJRCZAGTESPDOW-LQFHBUQSSA-L. The full InChI is InChI=1S/C12H11N3O.C10H14NO.O.V/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12;1-10(2,3)7-4-5-9(12)8(11)6-7;;/h1-9,16H,(H,13,15);4-6,11-12H,1-3H3;;/q;-1;-2;/p-2/b14-9+;;;.
What are the key properties of 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium?
2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium has a molecular weight of 442.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidyl-4-tert-butylphenolate;oxygen(2-);2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;vanadium is sourced from PubChem (CID 139160032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).