potassium ethyl 6-oxo-1H-pyridine-3-carboxylate

C8H9KNO3+ — CID 54602523

IUPACpotassium ethyl 6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)[nH]c1.[K+]
InChIInChI=1S/C8H9NO3.K/c1-2-12-8(11)6-3-4-7(10)9-5-6;/h3-5H,2H2,1H3,(H,9,10);/q;+1
InChIKeyPDUSILUZXRFHTQ-UHFFFAOYSA-N
MW206.26 g/mol
LogP-2.44
Rot. Bonds2

About potassium ethyl 6-oxo-1H-pyridine-3-carboxylate

potassium ethyl 6-oxo-1H-pyridine-3-carboxylate (PubChem CID 54602523) has the molecular formula C8H9KNO3+ and a molecular weight of 206.26 g/mol. Its IUPAC name is potassium ethyl 6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namepotassium ethyl 6-oxo-1H-pyridine-3-carboxylate
PubChem CID54602523
Molecular FormulaC8H9KNO3+
Molecular Weight206.26 g/mol
Exact Mass206.02
IUPAC Namepotassium ethyl 6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)[nH]c1.[K+]
InChIInChI=1S/C8H9NO3.K/c1-2-12-8(11)6-3-4-7(10)9-5-6;/h3-5H,2H2,1H3,(H,9,10);/q;+1
InChIKeyPDUSILUZXRFHTQ-UHFFFAOYSA-N
XLogP-2.44
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 6-hydroxynicotinate
CID 295861
Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
CID 416343
6-Hydroxynicotinate(1-)
CID 6920198
Methyl 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 597449
Methyl 1,6-dihydro-5-methyl-6-oxo-3-pyridinecarboxylate
CID 12387731
Nicotinic acid, 1,6-dihydro-1-methyl-6-oxo-, ethyl ester
CID 98785
Methyl 4-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 46223842
Methyl 2-oxo-1,2-dihydropyridine-4-carboxylate
CID 280755
Methyl 5-fluoro-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 15441125
4-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, 1-methylethyl ester
CID 71757680
Methyl 2-hydroxypyridine-4-carboxylate hydrochloride
CID 138991491
1,1,1,3,3,3-hexafluoropropan-2-yl 6-oxo-1H-pyridine-3-carboxylate
CID 162419466

Frequently Asked Questions

What is the IUPAC name of potassium ethyl 6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of potassium ethyl 6-oxo-1H-pyridine-3-carboxylate (CID 54602523) is potassium ethyl 6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for potassium ethyl 6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for potassium ethyl 6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1ccc(=O)[nH]c1.[K+].
What is the InChIKey of potassium ethyl 6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is PDUSILUZXRFHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.K/c1-2-12-8(11)6-3-4-7(10)9-5-6;/h3-5H,2H2,1H3,(H,9,10);/q;+1.
What are the key properties of potassium ethyl 6-oxo-1H-pyridine-3-carboxylate?
potassium ethyl 6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 206.26 g/mol, XLogP of -2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethyl 6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54602523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).