lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate

C14H12LiNO2 — CID 101389050

IUPAClithium 9-ethoxyindeno[2,1-c]pyridin-9-olate
SMILESCCOC1([O-])c2ccccc2-c2ccncc21.[Li+]
InChIInChI=1S/C14H12NO2.Li/c1-2-17-14(16)12-6-4-3-5-10(12)11-7-8-15-9-13(11)14;/h3-9H,2H2,1H3;/q-1;+1
InChIKeyTZMSTYTXILPVIR-UHFFFAOYSA-N
MW233.20 g/mol
LogP-1.34
Rot. Bonds2

About lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate

lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate (PubChem CID 101389050) has the molecular formula C14H12LiNO2 and a molecular weight of 233.20 g/mol. Its IUPAC name is lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate.

Molecular Properties

Compound Namelithium 9-ethoxyindeno[2,1-c]pyridin-9-olate
PubChem CID101389050
Molecular FormulaC14H12LiNO2
Molecular Weight233.20 g/mol
Exact Mass233.10
IUPAC Namelithium 9-ethoxyindeno[2,1-c]pyridin-9-olate
SMILESCCOC1([O-])c2ccccc2-c2ccncc21.[Li+]
InChIInChI=1S/C14H12NO2.Li/c1-2-17-14(16)12-6-4-3-5-10(12)11-7-8-15-9-13(11)14;/h3-9H,2H2,1H3;/q-1;+1
InChIKeyTZMSTYTXILPVIR-UHFFFAOYSA-N
XLogP-1.34
TPSA45.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate?
The IUPAC name of lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate (CID 101389050) is lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate.
What is the SMILES notation for lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate?
The canonical SMILES for lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate is CCOC1([O-])c2ccccc2-c2ccncc21.[Li+].
What is the InChIKey of lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate?
The InChIKey is TZMSTYTXILPVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12NO2.Li/c1-2-17-14(16)12-6-4-3-5-10(12)11-7-8-15-9-13(11)14;/h3-9H,2H2,1H3;/q-1;+1.
What are the key properties of lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate?
lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate has a molecular weight of 233.20 g/mol, XLogP of -1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 9-ethoxyindeno[2,1-c]pyridin-9-olate is sourced from PubChem (CID 101389050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).