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

C12H19NW — CID 155627043

IUPAC2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+)
SMILESCC(C)(C)c1c[c-]ccn1.C[CH-]C.[W+2]
InChIInChI=1S/C9H12N.C3H7.W/c1-9(2,3)8-6-4-5-7-10-8;1-3-2;/h5-7H,1-3H3;3H,1-2H3;/q2*-1;+2
InChIKeyRTXWJOYUOGEXDJ-UHFFFAOYSA-N
MW361.13 g/mol
LogP3.41
Rot. Bonds

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

2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+) (PubChem CID 155627043) has the molecular formula C12H19NW and a molecular weight of 361.13 g/mol. Its IUPAC name is 2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+).

Molecular Properties

Compound Name2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+)
PubChem CID155627043
Molecular FormulaC12H19NW
Molecular Weight361.13 g/mol
Exact Mass361.10
IUPAC Name2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+)
SMILESCC(C)(C)c1c[c-]ccn1.C[CH-]C.[W+2]
InChIInChI=1S/C9H12N.C3H7.W/c1-9(2,3)8-6-4-5-7-10-8;1-3-2;/h5-7H,1-3H3;3H,1-2H3;/q2*-1;+2
InChIKeyRTXWJOYUOGEXDJ-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.13
LogP ≤ 53.41
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;propane;tungsten(2+)?
The IUPAC name of 2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+) (CID 155627043) is 2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+).
What is the SMILES notation for 2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+)?
The canonical SMILES for 2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+) is CC(C)(C)c1c[c-]ccn1.C[CH-]C.[W+2].
What is the InChIKey of 2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+)?
The InChIKey is RTXWJOYUOGEXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.C3H7.W/c1-9(2,3)8-6-4-5-7-10-8;1-3-2;/h5-7H,1-3H3;3H,1-2H3;/q2*-1;+2.
What are the key properties of 2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+)?
2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+) has a molecular weight of 361.13 g/mol, XLogP of 3.41, 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;propane;tungsten(2+) is sourced from PubChem (CID 155627043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).