lithium 2-pyridin-2-ylpropanoate

C8H8LiNO2 — CID 175058549

IUPAClithium 2-pyridin-2-ylpropanoate
SMILESCC(C(=O)[O-])c1ccccn1.[Li+]
InChIInChI=1S/C8H9NO2.Li/c1-6(8(10)11)7-4-2-3-5-9-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1
InChIKeyQSNXGFYOMBCBSS-UHFFFAOYSA-M
MW157.10 g/mol
LogP-3.06
Rot. Bonds2

About lithium 2-pyridin-2-ylpropanoate

lithium 2-pyridin-2-ylpropanoate (PubChem CID 175058549) has the molecular formula C8H8LiNO2 and a molecular weight of 157.10 g/mol. Its IUPAC name is lithium 2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namelithium 2-pyridin-2-ylpropanoate
PubChem CID175058549
Molecular FormulaC8H8LiNO2
Molecular Weight157.10 g/mol
Exact Mass157.07
IUPAC Namelithium 2-pyridin-2-ylpropanoate
SMILESCC(C(=O)[O-])c1ccccn1.[Li+]
InChIInChI=1S/C8H9NO2.Li/c1-6(8(10)11)7-4-2-3-5-9-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1
InChIKeyQSNXGFYOMBCBSS-UHFFFAOYSA-M
XLogP-3.06
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-3.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium 2-pyridin-2-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-pyridin-2-ylpropanoate
CID 86306983
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746
copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)
CID 134096987
5-methyl-2-pyridin-2-ylheptan-3-one
CID 114875173
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
CID 66447774
2-pyridin-2-yldodecan-3-one
CID 66446795
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942

Frequently Asked Questions

What is the IUPAC name of lithium 2-pyridin-2-ylpropanoate?
The IUPAC name of lithium 2-pyridin-2-ylpropanoate (CID 175058549) is lithium 2-pyridin-2-ylpropanoate.
What is the SMILES notation for lithium 2-pyridin-2-ylpropanoate?
The canonical SMILES for lithium 2-pyridin-2-ylpropanoate is CC(C(=O)[O-])c1ccccn1.[Li+].
What is the InChIKey of lithium 2-pyridin-2-ylpropanoate?
The InChIKey is QSNXGFYOMBCBSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2.Li/c1-6(8(10)11)7-4-2-3-5-9-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 2-pyridin-2-ylpropanoate?
lithium 2-pyridin-2-ylpropanoate has a molecular weight of 157.10 g/mol, XLogP of -3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-pyridin-2-ylpropanoate is sourced from PubChem (CID 175058549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).