lithium 6,8-dichloro-4H-quinolin-4-ide

C9H4Cl2LiN — CID 88829968

IUPAClithium 6,8-dichloro-4H-quinolin-4-ide
SMILESClc1cc(Cl)c2ncc[c-]c2c1.[Li+]
InChIInChI=1S/C9H4Cl2N.Li/c10-7-4-6-2-1-3-12-9(6)8(11)5-7;/h1,3-5H;/q-1;+1
InChIKeyXDNZCLNWNTWUFF-UHFFFAOYSA-N
MW203.99 g/mol
LogP0.35
Rot. Bonds

About lithium 6,8-dichloro-4H-quinolin-4-ide

lithium 6,8-dichloro-4H-quinolin-4-ide (PubChem CID 88829968) has the molecular formula C9H4Cl2LiN and a molecular weight of 203.99 g/mol. Its IUPAC name is lithium 6,8-dichloro-4H-quinolin-4-ide.

Molecular Properties

Compound Namelithium 6,8-dichloro-4H-quinolin-4-ide
PubChem CID88829968
Molecular FormulaC9H4Cl2LiN
Molecular Weight203.99 g/mol
Exact Mass202.99
IUPAC Namelithium 6,8-dichloro-4H-quinolin-4-ide
SMILESClc1cc(Cl)c2ncc[c-]c2c1.[Li+]
InChIInChI=1S/C9H4Cl2N.Li/c10-7-4-6-2-1-3-12-9(6)8(11)5-7;/h1,3-5H;/q-1;+1
InChIKeyXDNZCLNWNTWUFF-UHFFFAOYSA-N
XLogP0.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.99
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 6,8-dichloro-4H-quinolin-4-ide?
The IUPAC name of lithium 6,8-dichloro-4H-quinolin-4-ide (CID 88829968) is lithium 6,8-dichloro-4H-quinolin-4-ide.
What is the SMILES notation for lithium 6,8-dichloro-4H-quinolin-4-ide?
The canonical SMILES for lithium 6,8-dichloro-4H-quinolin-4-ide is Clc1cc(Cl)c2ncc[c-]c2c1.[Li+].
What is the InChIKey of lithium 6,8-dichloro-4H-quinolin-4-ide?
The InChIKey is XDNZCLNWNTWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N.Li/c10-7-4-6-2-1-3-12-9(6)8(11)5-7;/h1,3-5H;/q-1;+1.
What are the key properties of lithium 6,8-dichloro-4H-quinolin-4-ide?
lithium 6,8-dichloro-4H-quinolin-4-ide has a molecular weight of 203.99 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6,8-dichloro-4H-quinolin-4-ide is sourced from PubChem (CID 88829968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).