potassium 2-(5-methyl-2-pyridinyl)acetate

C8H8KNO2 — CID 118988837

IUPACpotassium 2-(5-methyl-2-pyridinyl)acetate
SMILESCc1ccc(CC(=O)[O-])nc1.[K+]
InChIInChI=1S/C8H9NO2.K/c1-6-2-3-7(9-5-6)4-8(10)11;/h2-3,5H,4H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyQBNFKPSDFYQUIM-UHFFFAOYSA-M
MW189.26 g/mol
LogP-3.31
Rot. Bonds2

About potassium 2-(5-methyl-2-pyridinyl)acetate

potassium 2-(5-methyl-2-pyridinyl)acetate (PubChem CID 118988837) has the molecular formula C8H8KNO2 and a molecular weight of 189.26 g/mol. Its IUPAC name is potassium 2-(5-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Namepotassium 2-(5-methyl-2-pyridinyl)acetate
PubChem CID118988837
Molecular FormulaC8H8KNO2
Molecular Weight189.26 g/mol
Exact Mass189.02
IUPAC Namepotassium 2-(5-methyl-2-pyridinyl)acetate
SMILESCc1ccc(CC(=O)[O-])nc1.[K+]
InChIInChI=1S/C8H9NO2.K/c1-6-2-3-7(9-5-6)4-8(10)11;/h2-3,5H,4H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyQBNFKPSDFYQUIM-UHFFFAOYSA-M
XLogP-3.31
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-3.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(5-methyl-2-pyridinyl)acetamide
CID 13400653
2-(2-bromoprop-2-enyl)-5-methylpyridine
CID 24722180
1,1,1-trifluoro-3-(5-methyl-2-pyridinyl)propan-2-one
CID 15357184
3,4-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-one
CID 66448497
1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66447293
(5-methyl-2-pyridinyl)methanolate
CID 153447855
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
3-(5-methyl-2-pyridinyl)propanoic acid
CID 79002141
1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448114
1-(5-methyl-2-pyridinyl)nonan-2-one
CID 66447727
1-(2,2-dimethylcyclopropyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 107001982
(5-methyl-2-pyridinyl)methanol;hydrochloride
CID 91620369

Frequently Asked Questions

What is the IUPAC name of potassium 2-(5-methyl-2-pyridinyl)acetate?
The IUPAC name of potassium 2-(5-methyl-2-pyridinyl)acetate (CID 118988837) is potassium 2-(5-methyl-2-pyridinyl)acetate.
What is the SMILES notation for potassium 2-(5-methyl-2-pyridinyl)acetate?
The canonical SMILES for potassium 2-(5-methyl-2-pyridinyl)acetate is Cc1ccc(CC(=O)[O-])nc1.[K+].
What is the InChIKey of potassium 2-(5-methyl-2-pyridinyl)acetate?
The InChIKey is QBNFKPSDFYQUIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2.K/c1-6-2-3-7(9-5-6)4-8(10)11;/h2-3,5H,4H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-(5-methyl-2-pyridinyl)acetate?
potassium 2-(5-methyl-2-pyridinyl)acetate has a molecular weight of 189.26 g/mol, XLogP of -3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(5-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 118988837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).