potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate

C8H8KNO3 — CID 142681669

IUPACpotassium 4-(2-hydroxyethyl)pyridine-3-carboxylate
SMILESO=C([O-])c1cnccc1CCO.[K+]
InChIInChI=1S/C8H9NO3.K/c10-4-2-6-1-3-9-5-7(6)8(11)12;/h1,3,5,10H,2,4H2,(H,11,12);/q;+1/p-1
InChIKeySILORYDHNKMZIN-UHFFFAOYSA-M
MW205.25 g/mol
LogP-4.02
Rot. Bonds3

About potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate

potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate (PubChem CID 142681669) has the molecular formula C8H8KNO3 and a molecular weight of 205.25 g/mol. Its IUPAC name is potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namepotassium 4-(2-hydroxyethyl)pyridine-3-carboxylate
PubChem CID142681669
Molecular FormulaC8H8KNO3
Molecular Weight205.25 g/mol
Exact Mass205.01
IUPAC Namepotassium 4-(2-hydroxyethyl)pyridine-3-carboxylate
SMILESO=C([O-])c1cnccc1CCO.[K+]
InChIInChI=1S/C8H9NO3.K/c10-4-2-6-1-3-9-5-7(6)8(11)12;/h1,3,5,10H,2,4H2,(H,11,12);/q;+1/p-1
InChIKeySILORYDHNKMZIN-UHFFFAOYSA-M
XLogP-4.02
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-4.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-sulfidopyridine-3-carboxylate
CID 6946725
4-propylpyridine-3-carboxylic acid
CID 21413297
4-(2-iodoethyl)pyridine-3-carboxylic acid
CID 174800330
sodium 4-(2-hydroxyethyl)-6-phenylpyridine-3-carboxylate
CID 142681670
4-methoxypyridine-3-carboxylate
CID 26119064
isoquinoline-8-carboxylate
CID 86306452
4-hexylpyridine-3-carboxylic acid
CID 54526352
4-(chloromethyl)pyridine-3-carbonyl chloride
CID 10965291
4-(aminomethyl)pyridine-3-carboxamide
CID 123566615
3-(trifluoromethyl)pyridine-4-carboxylate
CID 26986367
2-[3-(methoxymethoxy)-4-pyridinyl]ethanol
CID 68725947
ethyl 4-(hydroxymethyl)pyridine-3-carboxylate
CID 112757154

Frequently Asked Questions

What is the IUPAC name of potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate?
The IUPAC name of potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate (CID 142681669) is potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate.
What is the SMILES notation for potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate?
The canonical SMILES for potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate is O=C([O-])c1cnccc1CCO.[K+].
What is the InChIKey of potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate?
The InChIKey is SILORYDHNKMZIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO3.K/c10-4-2-6-1-3-9-5-7(6)8(11)12;/h1,3,5,10H,2,4H2,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate?
potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate has a molecular weight of 205.25 g/mol, XLogP of -4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(2-hydroxyethyl)pyridine-3-carboxylate is sourced from PubChem (CID 142681669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).