potassium 2,6-dimethyl-3H-pyridin-3-ide

C7H8KN — CID 59128603

IUPACpotassium 2,6-dimethyl-3H-pyridin-3-ide
SMILESCc1[c-]ccc(C)n1.[K+]
InChIInChI=1S/C7H8N.K/c1-6-4-3-5-7(2)8-6;/h3-4H,1-2H3;/q-1;+1
InChIKeyOJBCMLWEBFOTPH-UHFFFAOYSA-N
MW145.25 g/mol
LogP-1.50
Rot. Bonds

About potassium 2,6-dimethyl-3H-pyridin-3-ide

potassium 2,6-dimethyl-3H-pyridin-3-ide (PubChem CID 59128603) has the molecular formula C7H8KN and a molecular weight of 145.25 g/mol. Its IUPAC name is potassium 2,6-dimethyl-3H-pyridin-3-ide.

Molecular Properties

Compound Namepotassium 2,6-dimethyl-3H-pyridin-3-ide
PubChem CID59128603
Molecular FormulaC7H8KN
Molecular Weight145.25 g/mol
Exact Mass145.03
IUPAC Namepotassium 2,6-dimethyl-3H-pyridin-3-ide
SMILESCc1[c-]ccc(C)n1.[K+]
InChIInChI=1S/C7H8N.K/c1-6-4-3-5-7(2)8-6;/h3-4H,1-2H3;/q-1;+1
InChIKeyOJBCMLWEBFOTPH-UHFFFAOYSA-N
XLogP-1.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-1.50
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 2,6-dimethyl-3H-pyridin-3-ide?
The IUPAC name of potassium 2,6-dimethyl-3H-pyridin-3-ide (CID 59128603) is potassium 2,6-dimethyl-3H-pyridin-3-ide.
What is the SMILES notation for potassium 2,6-dimethyl-3H-pyridin-3-ide?
The canonical SMILES for potassium 2,6-dimethyl-3H-pyridin-3-ide is Cc1[c-]ccc(C)n1.[K+].
What is the InChIKey of potassium 2,6-dimethyl-3H-pyridin-3-ide?
The InChIKey is OJBCMLWEBFOTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.K/c1-6-4-3-5-7(2)8-6;/h3-4H,1-2H3;/q-1;+1.
What are the key properties of potassium 2,6-dimethyl-3H-pyridin-3-ide?
potassium 2,6-dimethyl-3H-pyridin-3-ide has a molecular weight of 145.25 g/mol, XLogP of -1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,6-dimethyl-3H-pyridin-3-ide is sourced from PubChem (CID 59128603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).