bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide

C26H26N4O9V2 — CID 139155088

IUPACbis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-2].[O-2].[OH-].[V+4].[V+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.3C2H4O2.H2O.2O.2V/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2(3)4;;;;;/h2*1-8H;3*1H3,(H,3,4);1H2;;;;/q;;;;;;2*-2;2*+4/p-4
InChIKeyWVGGIEUUIOOVHG-UHFFFAOYSA-J
MW640.40 g/mol
LogP0.14
Rot. Bonds2

About bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide

bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide (PubChem CID 139155088) has the molecular formula C26H26N4O9V2 and a molecular weight of 640.40 g/mol. Its IUPAC name is bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide.

Molecular Properties

Compound Namebis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide
PubChem CID139155088
Molecular FormulaC26H26N4O9V2
Molecular Weight640.40 g/mol
Exact Mass640.06
IUPAC Namebis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-2].[O-2].[OH-].[V+4].[V+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.3C2H4O2.H2O.2O.2V/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2(3)4;;;;;/h2*1-8H;3*1H3,(H,3,4);1H2;;;;/q;;;;;;2*-2;2*+4/p-4
InChIKeyWVGGIEUUIOOVHG-UHFFFAOYSA-J
XLogP0.14
TPSA258.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.40
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide?
The IUPAC name of bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide (CID 139155088) is bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide.
What is the SMILES notation for bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide?
The canonical SMILES for bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-2].[O-2].[OH-].[V+4].[V+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide?
The InChIKey is WVGGIEUUIOOVHG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.3C2H4O2.H2O.2O.2V/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2(3)4;;;;;/h2*1-8H;3*1H3,(H,3,4);1H2;;;;/q;;;;;;2*-2;2*+4/p-4.
What are the key properties of bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide?
bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide has a molecular weight of 640.40 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(vanadium(4+));triacetate;hydroxide is sourced from PubChem (CID 139155088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).