lithium 2,3,5-trimethyl-4H-pyridin-4-ide

C8H10LiN — CID 23395990

IUPAClithium 2,3,5-trimethyl-4H-pyridin-4-ide
SMILESCc1[c-]c(C)c(C)nc1.[Li+]
InChIInChI=1S/C8H10N.Li/c1-6-4-7(2)8(3)9-5-6;/h5H,1-3H3;/q-1;+1
InChIKeyFTQNYSASNZAIBV-UHFFFAOYSA-N
MW127.12 g/mol
LogP-1.19
Rot. Bonds

About lithium 2,3,5-trimethyl-4H-pyridin-4-ide

lithium 2,3,5-trimethyl-4H-pyridin-4-ide (PubChem CID 23395990) has the molecular formula C8H10LiN and a molecular weight of 127.12 g/mol. Its IUPAC name is lithium 2,3,5-trimethyl-4H-pyridin-4-ide.

Molecular Properties

Compound Namelithium 2,3,5-trimethyl-4H-pyridin-4-ide
PubChem CID23395990
Molecular FormulaC8H10LiN
Molecular Weight127.12 g/mol
Exact Mass127.10
IUPAC Namelithium 2,3,5-trimethyl-4H-pyridin-4-ide
SMILESCc1[c-]c(C)c(C)nc1.[Li+]
InChIInChI=1S/C8H10N.Li/c1-6-4-7(2)8(3)9-5-6;/h5H,1-3H3;/q-1;+1
InChIKeyFTQNYSASNZAIBV-UHFFFAOYSA-N
XLogP-1.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium 2,3,5-trimethyl-4H-pyridin-4-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

3-methyl-5H-indole
CID 20712166
3,4,5,6-tetramethyl-2H-pyridin-2-ide
CID 57713242
5-ethyl-2-methyl-3H-pyridin-3-ide;yttrium
CID 57779809
lithium 3,4,5,6-tetramethyl-2H-pyridin-2-ide
CID 57798237
lithium 5-ethyl-2-methyl-3H-pyridin-3-ide
CID 58910058
rubidium(1+);4,5,6-trimethyl-3H-pyridin-3-ide
CID 59014573
4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
CID 59057512
4,6-dimethyl-3H-pyridin-3-ide;yttrium
CID 59098014
2,5-dimethyl-3H-pyridin-3-ide;yttrium
CID 59383484
4,6-dimethyl-3H-pyridin-3-ide;rubidium(1+)
CID 88589675
lithium 6-methyl-4H-quinolin-4-ide
CID 88830266
6-methylidene-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 89028721

Frequently Asked Questions

What is the IUPAC name of lithium 2,3,5-trimethyl-4H-pyridin-4-ide?
The IUPAC name of lithium 2,3,5-trimethyl-4H-pyridin-4-ide (CID 23395990) is lithium 2,3,5-trimethyl-4H-pyridin-4-ide.
What is the SMILES notation for lithium 2,3,5-trimethyl-4H-pyridin-4-ide?
The canonical SMILES for lithium 2,3,5-trimethyl-4H-pyridin-4-ide is Cc1[c-]c(C)c(C)nc1.[Li+].
What is the InChIKey of lithium 2,3,5-trimethyl-4H-pyridin-4-ide?
The InChIKey is FTQNYSASNZAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.Li/c1-6-4-7(2)8(3)9-5-6;/h5H,1-3H3;/q-1;+1.
What are the key properties of lithium 2,3,5-trimethyl-4H-pyridin-4-ide?
lithium 2,3,5-trimethyl-4H-pyridin-4-ide has a molecular weight of 127.12 g/mol, XLogP of -1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3,5-trimethyl-4H-pyridin-4-ide is sourced from PubChem (CID 23395990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).