potassium quinoxaline-6-carboxylate

C9H5KN2O2 — CID 23662165

IUPACpotassium quinoxaline-6-carboxylate
SMILESO=C([O-])c1ccc2nccnc2c1.[K+]
InChIInChI=1S/C9H6N2O2.K/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;/h1-5H,(H,12,13);/q;+1/p-1
InChIKeyPUIFGVWAHLLAOL-UHFFFAOYSA-M
MW212.25 g/mol
LogP-3.00
Rot. Bonds1

About potassium quinoxaline-6-carboxylate

potassium quinoxaline-6-carboxylate (PubChem CID 23662165) has the molecular formula C9H5KN2O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is potassium quinoxaline-6-carboxylate.

Molecular Properties

Compound Namepotassium quinoxaline-6-carboxylate
PubChem CID23662165
Molecular FormulaC9H5KN2O2
Molecular Weight212.25 g/mol
Exact Mass212.00
IUPAC Namepotassium quinoxaline-6-carboxylate
SMILESO=C([O-])c1ccc2nccnc2c1.[K+]
InChIInChI=1S/C9H6N2O2.K/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;/h1-5H,(H,12,13);/q;+1/p-1
InChIKeyPUIFGVWAHLLAOL-UHFFFAOYSA-M
XLogP-3.00
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-3.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium quinoxaline-6-carboxylate?
The IUPAC name of potassium quinoxaline-6-carboxylate (CID 23662165) is potassium quinoxaline-6-carboxylate.
What is the SMILES notation for potassium quinoxaline-6-carboxylate?
The canonical SMILES for potassium quinoxaline-6-carboxylate is O=C([O-])c1ccc2nccnc2c1.[K+].
What is the InChIKey of potassium quinoxaline-6-carboxylate?
The InChIKey is PUIFGVWAHLLAOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O2.K/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;/h1-5H,(H,12,13);/q;+1/p-1.
What are the key properties of potassium quinoxaline-6-carboxylate?
potassium quinoxaline-6-carboxylate has a molecular weight of 212.25 g/mol, XLogP of -3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium quinoxaline-6-carboxylate is sourced from PubChem (CID 23662165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).