bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium

C19H15N2O3V-5 — CID 139164403

IUPACbis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium
SMILES[O-2].[O-2].[O-]c1c(/C=N/Cc2ccccn2)cccc1-c1ccccc1.[V]
InChIInChI=1S/C19H16N2O.2O.V/c22-19-16(13-20-14-17-10-4-5-12-21-17)9-6-11-18(19)15-7-2-1-3-8-15;;;/h1-13,22H,14H2;;;/q;2*-2;/p-1/b20-13+;;;
InChIKeyQGBKHSNSHFDGMN-CNMPVOTBSA-M
MW370.28 g/mol
LogP3.20
Rot. Bonds4

About bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium

bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium (PubChem CID 139164403) has the molecular formula C19H15N2O3V-5 and a molecular weight of 370.28 g/mol. Its IUPAC name is bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium.

Molecular Properties

Compound Namebis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium
PubChem CID139164403
Molecular FormulaC19H15N2O3V-5
Molecular Weight370.28 g/mol
Exact Mass370.05
IUPAC Namebis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium
SMILES[O-2].[O-2].[O-]c1c(/C=N/Cc2ccccn2)cccc1-c1ccccc1.[V]
InChIInChI=1S/C19H16N2O.2O.V/c22-19-16(13-20-14-17-10-4-5-12-21-17)9-6-11-18(19)15-7-2-1-3-8-15;;;/h1-13,22H,14H2;;;/q;2*-2;/p-1/b20-13+;;;
InChIKeyQGBKHSNSHFDGMN-CNMPVOTBSA-M
XLogP3.20
TPSA105.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium?
The IUPAC name of bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium (CID 139164403) is bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium.
What is the SMILES notation for bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium?
The canonical SMILES for bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium is [O-2].[O-2].[O-]c1c(/C=N/Cc2ccccn2)cccc1-c1ccccc1.[V].
What is the InChIKey of bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium?
The InChIKey is QGBKHSNSHFDGMN-CNMPVOTBSA-M. The full InChI is InChI=1S/C19H16N2O.2O.V/c22-19-16(13-20-14-17-10-4-5-12-21-17)9-6-11-18(19)15-7-2-1-3-8-15;;;/h1-13,22H,14H2;;;/q;2*-2;/p-1/b20-13+;;;.
What are the key properties of bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium?
bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium has a molecular weight of 370.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));2-phenyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;vanadium is sourced from PubChem (CID 139164403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).