2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)

C13H21NW — CID 155612950

IUPAC2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)
SMILESCC(C)(C)c1c[c-]ccn1.C[C-](C)C.[W+2]
InChIInChI=1S/C9H12N.C4H9.W/c1-9(2,3)8-6-4-5-7-10-8;1-4(2)3;/h5-7H,1-3H3;1-3H3;/q2*-1;+2
InChIKeyXQUKWJXRZMVHHG-UHFFFAOYSA-N
MW375.16 g/mol
LogP3.80
Rot. Bonds

About 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)

2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+) (PubChem CID 155612950) has the molecular formula C13H21NW and a molecular weight of 375.16 g/mol. Its IUPAC name is 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+).

Molecular Properties

Compound Name2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)
PubChem CID155612950
Molecular FormulaC13H21NW
Molecular Weight375.16 g/mol
Exact Mass375.12
IUPAC Name2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)
SMILESCC(C)(C)c1c[c-]ccn1.C[C-](C)C.[W+2]
InChIInChI=1S/C9H12N.C4H9.W/c1-9(2,3)8-6-4-5-7-10-8;1-4(2)3;/h5-7H,1-3H3;1-3H3;/q2*-1;+2
InChIKeyXQUKWJXRZMVHHG-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 53.80
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 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)?
The IUPAC name of 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+) (CID 155612950) is 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+).
What is the SMILES notation for 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)?
The canonical SMILES for 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+) is CC(C)(C)c1c[c-]ccn1.C[C-](C)C.[W+2].
What is the InChIKey of 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)?
The InChIKey is XQUKWJXRZMVHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.C4H9.W/c1-9(2,3)8-6-4-5-7-10-8;1-4(2)3;/h5-7H,1-3H3;1-3H3;/q2*-1;+2.
What are the key properties of 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)?
2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+) has a molecular weight of 375.16 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+) is sourced from PubChem (CID 155612950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).