lithium 6-methyl-3H-pyridin-3-ide

C6H6LiN — CID 22323741

IUPAClithium 6-methyl-3H-pyridin-3-ide
SMILESCc1cc[c-]cn1.[Li+]
InChIInChI=1S/C6H6N.Li/c1-6-4-2-3-5-7-6;/h2,4-5H,1H3;/q-1;+1
InChIKeyXCKDAVCUQCZQBU-UHFFFAOYSA-N
MW99.06 g/mol
LogP-1.81
Rot. Bonds

About lithium 6-methyl-3H-pyridin-3-ide

lithium 6-methyl-3H-pyridin-3-ide (PubChem CID 22323741) has the molecular formula C6H6LiN and a molecular weight of 99.06 g/mol. Its IUPAC name is lithium 6-methyl-3H-pyridin-3-ide.

Molecular Properties

Compound Namelithium 6-methyl-3H-pyridin-3-ide
PubChem CID22323741
Molecular FormulaC6H6LiN
Molecular Weight99.06 g/mol
Exact Mass99.07
IUPAC Namelithium 6-methyl-3H-pyridin-3-ide
SMILESCc1cc[c-]cn1.[Li+]
InChIInChI=1S/C6H6N.Li/c1-6-4-2-3-5-7-6;/h2,4-5H,1H3;/q-1;+1
InChIKeyXCKDAVCUQCZQBU-UHFFFAOYSA-N
XLogP-1.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.06
LogP ≤ 5-1.81
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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Related Compounds

Lithium 5-methylpyridin-2-ide
CID 15815864
Lutidyllithium
CID 129669688
lithium;6-(trifluoromethyl)-3H-pyridin-3-ide
CID 85867280
lithium;6-(difluoromethyl)-3H-pyridin-3-ide
CID 85959934
2-Ethyl pyridyllithium
CID 129677973
6-methanidyl-3H-pyridin-3-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055657
(Z)-N-ethenylpent-3-en-2-imine
CID 58056427
carbanide;6-ethyl-3H-pyridin-3-ide;yttrium
CID 58257483
6-ethyl-3H-pyridin-3-ide;propane;yttrium
CID 58257500
5-methyl-2H-pyridin-2-ide;yttrium
CID 58607063
lithium 5-ethyl-2-methyl-3H-pyridin-3-ide
CID 58910058
5-methyl-2H-pyridin-2-ide;tungsten
CID 59037144

Frequently Asked Questions

What is the IUPAC name of lithium 6-methyl-3H-pyridin-3-ide?
The IUPAC name of lithium 6-methyl-3H-pyridin-3-ide (CID 22323741) is lithium 6-methyl-3H-pyridin-3-ide.
What is the SMILES notation for lithium 6-methyl-3H-pyridin-3-ide?
The canonical SMILES for lithium 6-methyl-3H-pyridin-3-ide is Cc1cc[c-]cn1.[Li+].
What is the InChIKey of lithium 6-methyl-3H-pyridin-3-ide?
The InChIKey is XCKDAVCUQCZQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Li/c1-6-4-2-3-5-7-6;/h2,4-5H,1H3;/q-1;+1.
What are the key properties of lithium 6-methyl-3H-pyridin-3-ide?
lithium 6-methyl-3H-pyridin-3-ide has a molecular weight of 99.06 g/mol, XLogP of -1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-methyl-3H-pyridin-3-ide is sourced from PubChem (CID 22323741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).