2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten

C9H9N2W- — CID 155709575

IUPAC2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten
SMILESCC(C)(C#N)c1c[c-]ccn1.[W]
InChIInChI=1S/C9H9N2.W/c1-9(2,7-10)8-5-3-4-6-11-8;/h4-6H,1-2H3;/q-1;
InChIKeyKSKXXECIWNDEKL-UHFFFAOYSA-N
MW329.03 g/mol
LogP1.68
Rot. Bonds1

About 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten

2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten (PubChem CID 155709575) has the molecular formula C9H9N2W- and a molecular weight of 329.03 g/mol. Its IUPAC name is 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten.

Molecular Properties

Compound Name2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten
PubChem CID155709575
Molecular FormulaC9H9N2W-
Molecular Weight329.03 g/mol
Exact Mass329.03
IUPAC Name2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten
SMILESCC(C)(C#N)c1c[c-]ccn1.[W]
InChIInChI=1S/C9H9N2.W/c1-9(2,7-10)8-5-3-4-6-11-8;/h4-6H,1-2H3;/q-1;
InChIKeyKSKXXECIWNDEKL-UHFFFAOYSA-N
XLogP1.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.03
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4H-pyridin-4-ide;yttrium
CID 59698759
magnesium;2-ethyl-2-(3H-pyridin-3-id-6-yl)butanenitrile;chloride
CID 139369572
3-Ethenylimino-2,2,5-trimethylhex-4-enenitrile
CID 142382036
2-(2H-azepin-7-yl)-2-methylpropanenitrile
CID 144141359
magnesium;2-methyl-2-(3H-pyridin-3-id-6-yl)propanenitrile;chloride
CID 151194242
2-tert-butyl-4H-pyridin-4-ide;2-methylpropane;tungsten(2+)
CID 155612950
2-tert-butyl-4H-pyridin-4-ide;propane;tungsten(2+)
CID 155627043
6-tert-butyl-3H-pyridin-3-ide;rutherfordium
CID 170573714
2-(5-propan-2-yl-4H-pyridin-4-id-2-yl)acetonitrile;yttrium
CID 172336842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten?
The IUPAC name of 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten (CID 155709575) is 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten.
What is the SMILES notation for 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten?
The canonical SMILES for 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten is CC(C)(C#N)c1c[c-]ccn1.[W].
What is the InChIKey of 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten?
The InChIKey is KSKXXECIWNDEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2.W/c1-9(2,7-10)8-5-3-4-6-11-8;/h4-6H,1-2H3;/q-1;.
What are the key properties of 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten?
2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten has a molecular weight of 329.03 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4H-pyridin-4-id-2-yl)propanenitrile;tungsten is sourced from PubChem (CID 155709575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).