potassium 3-ethenyl-4H-pyridin-4-ide

C7H5KN- — CID 59939671

IUPACpotassium 3-ethenyl-4H-pyridin-4-ide
SMILES[H]/[C-]=C/c1[c-]ccnc1.[K+]
InChIInChI=1S/C7H5N.K/c1-2-7-4-3-5-8-6-7;/h1-3,5-6H;/q-2;+1
InChIKeyQMZSOBJFPVUNQD-UHFFFAOYSA-N
MW142.22 g/mol
LogP-1.67
Rot. Bonds1

About potassium 3-ethenyl-4H-pyridin-4-ide

potassium 3-ethenyl-4H-pyridin-4-ide (PubChem CID 59939671) has the molecular formula C7H5KN- and a molecular weight of 142.22 g/mol. Its IUPAC name is potassium 3-ethenyl-4H-pyridin-4-ide.

Molecular Properties

Compound Namepotassium 3-ethenyl-4H-pyridin-4-ide
PubChem CID59939671
Molecular FormulaC7H5KN-
Molecular Weight142.22 g/mol
Exact Mass142.01
IUPAC Namepotassium 3-ethenyl-4H-pyridin-4-ide
SMILES[H]/[C-]=C/c1[c-]ccnc1.[K+]
InChIInChI=1S/C7H5N.K/c1-2-7-4-3-5-8-6-7;/h1-3,5-6H;/q-2;+1
InChIKeyQMZSOBJFPVUNQD-UHFFFAOYSA-N
XLogP-1.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-1.67
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 potassium 3-ethenyl-4H-pyridin-4-ide?
The IUPAC name of potassium 3-ethenyl-4H-pyridin-4-ide (CID 59939671) is potassium 3-ethenyl-4H-pyridin-4-ide.
What is the SMILES notation for potassium 3-ethenyl-4H-pyridin-4-ide?
The canonical SMILES for potassium 3-ethenyl-4H-pyridin-4-ide is [H]/[C-]=C/c1[c-]ccnc1.[K+].
What is the InChIKey of potassium 3-ethenyl-4H-pyridin-4-ide?
The InChIKey is QMZSOBJFPVUNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.K/c1-2-7-4-3-5-8-6-7;/h1-3,5-6H;/q-2;+1.
What are the key properties of potassium 3-ethenyl-4H-pyridin-4-ide?
potassium 3-ethenyl-4H-pyridin-4-ide has a molecular weight of 142.22 g/mol, XLogP of -1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-ethenyl-4H-pyridin-4-ide is sourced from PubChem (CID 59939671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).