copper(1+);2H-pyridin-2-ide

C5H4CuN — CID 12761937

IUPACcopper(1+);2H-pyridin-2-ide
SMILES[Cu+].[c-]1ccccn1
InChIInChI=1S/C5H4N.Cu/c1-2-4-6-5-3-1;/h1-4H;/q-1;+1
InChIKeyFMGCOCWGDIWCTG-UHFFFAOYSA-N
MW141.64 g/mol
LogP0.88
Rot. Bonds

About copper(1+);2H-pyridin-2-ide

copper(1+);2H-pyridin-2-ide (PubChem CID 12761937) has the molecular formula C5H4CuN and a molecular weight of 141.64 g/mol. Its IUPAC name is copper(1+);2H-pyridin-2-ide.

Molecular Properties

Compound Namecopper(1+);2H-pyridin-2-ide
PubChem CID12761937
Molecular FormulaC5H4CuN
Molecular Weight141.64 g/mol
Exact Mass140.96
IUPAC Namecopper(1+);2H-pyridin-2-ide
SMILES[Cu+].[c-]1ccccn1
InChIInChI=1S/C5H4N.Cu/c1-2-4-6-5-3-1;/h1-4H;/q-1;+1
InChIKeyFMGCOCWGDIWCTG-UHFFFAOYSA-N
XLogP0.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.64
LogP ≤ 50.88
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 copper(1+);2H-pyridin-2-ide?
The IUPAC name of copper(1+);2H-pyridin-2-ide (CID 12761937) is copper(1+);2H-pyridin-2-ide.
What is the SMILES notation for copper(1+);2H-pyridin-2-ide?
The canonical SMILES for copper(1+);2H-pyridin-2-ide is [Cu+].[c-]1ccccn1.
What is the InChIKey of copper(1+);2H-pyridin-2-ide?
The InChIKey is FMGCOCWGDIWCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N.Cu/c1-2-4-6-5-3-1;/h1-4H;/q-1;+1.
What are the key properties of copper(1+);2H-pyridin-2-ide?
copper(1+);2H-pyridin-2-ide has a molecular weight of 141.64 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2H-pyridin-2-ide is sourced from PubChem (CID 12761937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).