lithium 2-pyridin-2-ylphenolate

C11H8LiNO — CID 59522969

IUPAClithium 2-pyridin-2-ylphenolate
SMILES[Li+].[O-]c1ccccc1-c1ccccn1
InChIInChI=1S/C11H9NO.Li/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/q;+1/p-1
InChIKeyPSAFWEIHLJUJOI-UHFFFAOYSA-M
MW177.13 g/mol
LogP-1.17
Rot. Bonds1

About lithium 2-pyridin-2-ylphenolate

lithium 2-pyridin-2-ylphenolate (PubChem CID 59522969) has the molecular formula C11H8LiNO and a molecular weight of 177.13 g/mol. Its IUPAC name is lithium 2-pyridin-2-ylphenolate.

Molecular Properties

Compound Namelithium 2-pyridin-2-ylphenolate
PubChem CID59522969
Molecular FormulaC11H8LiNO
Molecular Weight177.13 g/mol
Exact Mass177.08
IUPAC Namelithium 2-pyridin-2-ylphenolate
SMILES[Li+].[O-]c1ccccc1-c1ccccn1
InChIInChI=1S/C11H9NO.Li/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/q;+1/p-1
InChIKeyPSAFWEIHLJUJOI-UHFFFAOYSA-M
XLogP-1.17
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 2-pyridin-2-ylphenolate?
The IUPAC name of lithium 2-pyridin-2-ylphenolate (CID 59522969) is lithium 2-pyridin-2-ylphenolate.
What is the SMILES notation for lithium 2-pyridin-2-ylphenolate?
The canonical SMILES for lithium 2-pyridin-2-ylphenolate is [Li+].[O-]c1ccccc1-c1ccccn1.
What is the InChIKey of lithium 2-pyridin-2-ylphenolate?
The InChIKey is PSAFWEIHLJUJOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO.Li/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/q;+1/p-1.
What are the key properties of lithium 2-pyridin-2-ylphenolate?
lithium 2-pyridin-2-ylphenolate has a molecular weight of 177.13 g/mol, XLogP of -1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-pyridin-2-ylphenolate is sourced from PubChem (CID 59522969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).