dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)

C14H20Cl2N2O2V+2 — CID 18683166

IUPACdichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)
SMILESC[OH+]Cc1ccccn1.C[OH+]Cc1ccccn1.Cl[V]Cl
InChIInChI=1S/2C7H9NO.2ClH.V/c2*1-9-6-7-4-2-3-5-8-7;;;/h2*2-5H,6H2,1H3;2*1H;/q;;;;+2
InChIKeyGPAXLEQQFBTIHH-UHFFFAOYSA-N
MW370.18 g/mol
LogP2.86
Rot. Bonds4

About dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)

dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium) (PubChem CID 18683166) has the molecular formula C14H20Cl2N2O2V+2 and a molecular weight of 370.18 g/mol. Its IUPAC name is dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium).

Molecular Properties

Compound Namedichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)
PubChem CID18683166
Molecular FormulaC14H20Cl2N2O2V+2
Molecular Weight370.18 g/mol
Exact Mass369.03
IUPAC Namedichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)
SMILESC[OH+]Cc1ccccn1.C[OH+]Cc1ccccn1.Cl[V]Cl
InChIInChI=1S/2C7H9NO.2ClH.V/c2*1-9-6-7-4-2-3-5-8-7;;;/h2*2-5H,6H2,1H3;2*1H;/q;;;;+2
InChIKeyGPAXLEQQFBTIHH-UHFFFAOYSA-N
XLogP2.86
TPSA51.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.18
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)?
The IUPAC name of dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium) (CID 18683166) is dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium).
What is the SMILES notation for dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)?
The canonical SMILES for dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium) is C[OH+]Cc1ccccn1.C[OH+]Cc1ccccn1.Cl[V]Cl.
What is the InChIKey of dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)?
The InChIKey is GPAXLEQQFBTIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO.2ClH.V/c2*1-9-6-7-4-2-3-5-8-7;;;/h2*2-5H,6H2,1H3;2*1H;/q;;;;+2.
What are the key properties of dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium)?
dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium) has a molecular weight of 370.18 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorovanadium;bis(methyl(pyridin-2-ylmethyl)oxidanium) is sourced from PubChem (CID 18683166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).