5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))

C14H23NV5 — CID 58055640

IUPAC5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
SMILESC[C-](C)C.C[C-](C)C.[CH2-]c1cc[c-]nc1.[V+2].[V+2].[V].[V].[V]
InChIInChI=1S/C6H5N.2C4H9.5V/c1-6-3-2-4-7-5-6;2*1-4(2)3;;;;;/h2-3,5H,1H2;2*1-3H3;;;;;/q-2;2*-1;;;;2*+2
InChIKeyOPCWWRHJUUJYHZ-UHFFFAOYSA-N
MW460.07 g/mol
LogP4.29
Rot. Bonds

About 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))

5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) (PubChem CID 58055640) has the molecular formula C14H23NV5 and a molecular weight of 460.07 g/mol. Its IUPAC name is 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)).

Molecular Properties

Compound Name5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
PubChem CID58055640
Molecular FormulaC14H23NV5
Molecular Weight460.07 g/mol
Exact Mass459.90
IUPAC Name5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
SMILESC[C-](C)C.C[C-](C)C.[CH2-]c1cc[c-]nc1.[V+2].[V+2].[V].[V].[V]
InChIInChI=1S/C6H5N.2C4H9.5V/c1-6-3-2-4-7-5-6;2*1-4(2)3;;;;;/h2-3,5H,1H2;2*1-3H3;;;;;/q-2;2*-1;;;;2*+2
InChIKeyOPCWWRHJUUJYHZ-UHFFFAOYSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.07
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))?
The IUPAC name of 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) (CID 58055640) is 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)).
What is the SMILES notation for 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))?
The canonical SMILES for 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) is C[C-](C)C.C[C-](C)C.[CH2-]c1cc[c-]nc1.[V+2].[V+2].[V].[V].[V].
What is the InChIKey of 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))?
The InChIKey is OPCWWRHJUUJYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N.2C4H9.5V/c1-6-3-2-4-7-5-6;2*1-4(2)3;;;;;/h2-3,5H,1H2;2*1-3H3;;;;;/q-2;2*-1;;;;2*+2.
What are the key properties of 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))?
5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) has a molecular weight of 460.07 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanidyl-2H-pyridin-2-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+)) is sourced from PubChem (CID 58055640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).