potassium methyl 2H-pyridin-2-ide-5-carboxylate

C7H6KNO2 — CID 174496363

IUPACpotassium methyl 2H-pyridin-2-ide-5-carboxylate
SMILESCOC(=O)c1cc[c-]nc1.[K+]
InChIInChI=1S/C7H6NO2.K/c1-10-7(9)6-3-2-4-8-5-6;/h2-3,5H,1H3;/q-1;+1
InChIKeyJFSHJUMSXKKSQV-UHFFFAOYSA-N
MW175.23 g/mol
LogP-2.33
Rot. Bonds1

About potassium methyl 2H-pyridin-2-ide-5-carboxylate

potassium methyl 2H-pyridin-2-ide-5-carboxylate (PubChem CID 174496363) has the molecular formula C7H6KNO2 and a molecular weight of 175.23 g/mol. Its IUPAC name is potassium methyl 2H-pyridin-2-ide-5-carboxylate.

Molecular Properties

Compound Namepotassium methyl 2H-pyridin-2-ide-5-carboxylate
PubChem CID174496363
Molecular FormulaC7H6KNO2
Molecular Weight175.23 g/mol
Exact Mass175.00
IUPAC Namepotassium methyl 2H-pyridin-2-ide-5-carboxylate
SMILESCOC(=O)c1cc[c-]nc1.[K+]
InChIInChI=1S/C7H6NO2.K/c1-10-7(9)6-3-2-4-8-5-6;/h2-3,5H,1H3;/q-1;+1
InChIKeyJFSHJUMSXKKSQV-UHFFFAOYSA-N
XLogP-2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-2.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2H-pyridin-2-ide-5-carboxylate?
The IUPAC name of potassium methyl 2H-pyridin-2-ide-5-carboxylate (CID 174496363) is potassium methyl 2H-pyridin-2-ide-5-carboxylate.
What is the SMILES notation for potassium methyl 2H-pyridin-2-ide-5-carboxylate?
The canonical SMILES for potassium methyl 2H-pyridin-2-ide-5-carboxylate is COC(=O)c1cc[c-]nc1.[K+].
What is the InChIKey of potassium methyl 2H-pyridin-2-ide-5-carboxylate?
The InChIKey is JFSHJUMSXKKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2.K/c1-10-7(9)6-3-2-4-8-5-6;/h2-3,5H,1H3;/q-1;+1.
What are the key properties of potassium methyl 2H-pyridin-2-ide-5-carboxylate?
potassium methyl 2H-pyridin-2-ide-5-carboxylate has a molecular weight of 175.23 g/mol, XLogP of -2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium methyl 2H-pyridin-2-ide-5-carboxylate is sourced from PubChem (CID 174496363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).