lithium 2,4-dichloro-3H-pyridin-3-ide

C5H2Cl2LiN — CID 134894113

IUPAClithium 2,4-dichloro-3H-pyridin-3-ide
SMILESClc1[c-]c(Cl)ncc1.[Li+]
InChIInChI=1S/C5H2Cl2N.Li/c6-4-1-2-8-5(7)3-4;/h1-2H;/q-1;+1
InChIKeyBKBIZFSJSICYNP-UHFFFAOYSA-N
MW153.93 g/mol
LogP-0.81
Rot. Bonds

About lithium 2,4-dichloro-3H-pyridin-3-ide

lithium 2,4-dichloro-3H-pyridin-3-ide (PubChem CID 134894113) has the molecular formula C5H2Cl2LiN and a molecular weight of 153.93 g/mol. Its IUPAC name is lithium 2,4-dichloro-3H-pyridin-3-ide.

Molecular Properties

Compound Namelithium 2,4-dichloro-3H-pyridin-3-ide
PubChem CID134894113
Molecular FormulaC5H2Cl2LiN
Molecular Weight153.93 g/mol
Exact Mass152.97
IUPAC Namelithium 2,4-dichloro-3H-pyridin-3-ide
SMILESClc1[c-]c(Cl)ncc1.[Li+]
InChIInChI=1S/C5H2Cl2N.Li/c6-4-1-2-8-5(7)3-4;/h1-2H;/q-1;+1
InChIKeyBKBIZFSJSICYNP-UHFFFAOYSA-N
XLogP-0.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.93
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium 2,4-dichloro-3H-pyridin-3-ide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 2,4-dichloro-3H-pyridin-3-ide?
The IUPAC name of lithium 2,4-dichloro-3H-pyridin-3-ide (CID 134894113) is lithium 2,4-dichloro-3H-pyridin-3-ide.
What is the SMILES notation for lithium 2,4-dichloro-3H-pyridin-3-ide?
The canonical SMILES for lithium 2,4-dichloro-3H-pyridin-3-ide is Clc1[c-]c(Cl)ncc1.[Li+].
What is the InChIKey of lithium 2,4-dichloro-3H-pyridin-3-ide?
The InChIKey is BKBIZFSJSICYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N.Li/c6-4-1-2-8-5(7)3-4;/h1-2H;/q-1;+1.
What are the key properties of lithium 2,4-dichloro-3H-pyridin-3-ide?
lithium 2,4-dichloro-3H-pyridin-3-ide has a molecular weight of 153.93 g/mol, XLogP of -0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,4-dichloro-3H-pyridin-3-ide is sourced from PubChem (CID 134894113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).