lithium 2-fluoro-4-methyl-3H-pyridin-3-ide

C6H5FLiN — CID 59837864

IUPAClithium 2-fluoro-4-methyl-3H-pyridin-3-ide
SMILESCc1[c-]c(F)ncc1.[Li+]
InChIInChI=1S/C6H5FN.Li/c1-5-2-3-8-6(7)4-5;/h2-3H,1H3;/q-1;+1
InChIKeyVYZJHLVIZSORAY-UHFFFAOYSA-N
MW117.05 g/mol
LogP-1.67
Rot. Bonds

About lithium 2-fluoro-4-methyl-3H-pyridin-3-ide

lithium 2-fluoro-4-methyl-3H-pyridin-3-ide (PubChem CID 59837864) has the molecular formula C6H5FLiN and a molecular weight of 117.05 g/mol. Its IUPAC name is lithium 2-fluoro-4-methyl-3H-pyridin-3-ide.

Molecular Properties

Compound Namelithium 2-fluoro-4-methyl-3H-pyridin-3-ide
PubChem CID59837864
Molecular FormulaC6H5FLiN
Molecular Weight117.05 g/mol
Exact Mass117.06
IUPAC Namelithium 2-fluoro-4-methyl-3H-pyridin-3-ide
SMILESCc1[c-]c(F)ncc1.[Li+]
InChIInChI=1S/C6H5FN.Li/c1-5-2-3-8-6(7)4-5;/h2-3H,1H3;/q-1;+1
InChIKeyVYZJHLVIZSORAY-UHFFFAOYSA-N
XLogP-1.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.05
LogP ≤ 5-1.67
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-fluoro-4-methyl-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

Related Compounds

lithium 4-(trifluoromethyl)-3H-pyridin-3-ide
CID 134833680
lithium;4-(trifluoromethyl)-2H-pyridin-2-ide
CID 134857287
4-Methyl-2-pyridyllithium
CID 16182949
4-methyl-2H-pyridin-2-ide
CID 125458985
4-methyl-2H-pyridin-2-ide;uranium
CID 58665792
4-methyl-2H-pyridin-2-ide;rhenium
CID 59009479
4-methyl-3H-pyridin-3-ide;yttrium
CID 59097999
4-methyl-2H-pyridin-2-ide;yttrium
CID 59098010
4-methyl-2H-pyridin-2-ide;tungsten
CID 59932579
4-(deuteriomethyl)-3H-pyridin-3-ide;vanadium
CID 60010055
2-Fluoro-5-methyl-3-pyridyllithium
CID 86048339
4-methyl-2H-pyridin-2-ide;zinc
CID 89407541

Frequently Asked Questions

What is the IUPAC name of lithium 2-fluoro-4-methyl-3H-pyridin-3-ide?
The IUPAC name of lithium 2-fluoro-4-methyl-3H-pyridin-3-ide (CID 59837864) is lithium 2-fluoro-4-methyl-3H-pyridin-3-ide.
What is the SMILES notation for lithium 2-fluoro-4-methyl-3H-pyridin-3-ide?
The canonical SMILES for lithium 2-fluoro-4-methyl-3H-pyridin-3-ide is Cc1[c-]c(F)ncc1.[Li+].
What is the InChIKey of lithium 2-fluoro-4-methyl-3H-pyridin-3-ide?
The InChIKey is VYZJHLVIZSORAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN.Li/c1-5-2-3-8-6(7)4-5;/h2-3H,1H3;/q-1;+1.
What are the key properties of lithium 2-fluoro-4-methyl-3H-pyridin-3-ide?
lithium 2-fluoro-4-methyl-3H-pyridin-3-ide has a molecular weight of 117.05 g/mol, XLogP of -1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-fluoro-4-methyl-3H-pyridin-3-ide is sourced from PubChem (CID 59837864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).