lithium 2-(5-ethoxy-2-pyridinyl)acetate

C9H10LiNO3 — CID 86812373

IUPAClithium 2-(5-ethoxy-2-pyridinyl)acetate
SMILESCCOc1ccc(CC(=O)[O-])nc1.[Li+]
InChIInChI=1S/C9H11NO3.Li/c1-2-13-8-4-3-7(10-6-8)5-9(11)12;/h3-4,6H,2,5H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyQTRDOIKSFCDVJA-UHFFFAOYSA-M
MW187.12 g/mol
LogP-3.22
Rot. Bonds4

About lithium 2-(5-ethoxy-2-pyridinyl)acetate

lithium 2-(5-ethoxy-2-pyridinyl)acetate (PubChem CID 86812373) has the molecular formula C9H10LiNO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is lithium 2-(5-ethoxy-2-pyridinyl)acetate.

Molecular Properties

Compound Namelithium 2-(5-ethoxy-2-pyridinyl)acetate
PubChem CID86812373
Molecular FormulaC9H10LiNO3
Molecular Weight187.12 g/mol
Exact Mass187.08
IUPAC Namelithium 2-(5-ethoxy-2-pyridinyl)acetate
SMILESCCOc1ccc(CC(=O)[O-])nc1.[Li+]
InChIInChI=1S/C9H11NO3.Li/c1-2-13-8-4-3-7(10-6-8)5-9(11)12;/h3-4,6H,2,5H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyQTRDOIKSFCDVJA-UHFFFAOYSA-M
XLogP-3.22
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 5-3.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(5-ethoxy-2-pyridinyl)acetate?
The IUPAC name of lithium 2-(5-ethoxy-2-pyridinyl)acetate (CID 86812373) is lithium 2-(5-ethoxy-2-pyridinyl)acetate.
What is the SMILES notation for lithium 2-(5-ethoxy-2-pyridinyl)acetate?
The canonical SMILES for lithium 2-(5-ethoxy-2-pyridinyl)acetate is CCOc1ccc(CC(=O)[O-])nc1.[Li+].
What is the InChIKey of lithium 2-(5-ethoxy-2-pyridinyl)acetate?
The InChIKey is QTRDOIKSFCDVJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO3.Li/c1-2-13-8-4-3-7(10-6-8)5-9(11)12;/h3-4,6H,2,5H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of lithium 2-(5-ethoxy-2-pyridinyl)acetate?
lithium 2-(5-ethoxy-2-pyridinyl)acetate has a molecular weight of 187.12 g/mol, XLogP of -3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(5-ethoxy-2-pyridinyl)acetate is sourced from PubChem (CID 86812373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).