potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate

C8H9KN2O3 — CID 178200016

IUPACpotassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate
SMILESCC(C)(O)c1cncc(C(=O)[O-])n1.[K+]
InChIInChI=1S/C8H10N2O3.K/c1-8(2,13)6-4-9-3-5(10-6)7(11)12;/h3-4,13H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyCDCDOVTXNZVFIA-UHFFFAOYSA-M
MW220.27 g/mol
LogP-3.93
Rot. Bonds2

About potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate

potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate (PubChem CID 178200016) has the molecular formula C8H9KN2O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namepotassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate
PubChem CID178200016
Molecular FormulaC8H9KN2O3
Molecular Weight220.27 g/mol
Exact Mass220.03
IUPAC Namepotassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate
SMILESCC(C)(O)c1cncc(C(=O)[O-])n1.[K+]
InChIInChI=1S/C8H10N2O3.K/c1-8(2,13)6-4-9-3-5(10-6)7(11)12;/h3-4,13H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyCDCDOVTXNZVFIA-UHFFFAOYSA-M
XLogP-3.93
TPSA86.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-3.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate?
The IUPAC name of potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate (CID 178200016) is potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate.
What is the SMILES notation for potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate?
The canonical SMILES for potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate is CC(C)(O)c1cncc(C(=O)[O-])n1.[K+].
What is the InChIKey of potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate?
The InChIKey is CDCDOVTXNZVFIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O3.K/c1-8(2,13)6-4-9-3-5(10-6)7(11)12;/h3-4,13H,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate?
potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of -3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(2-hydroxypropan-2-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 178200016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).