2,6-Dimethylpyridine

Details

• Internal ID: a85cd21a-5f36-4f04-bb68-7f1d23be5842
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Methylpyridines
• IUPAC Name: 2,6-dimethylpyridine
• SMILES (Canonical): CC1=NC(=CC=C1)C
• SMILES (Isomeric): CC1=NC(=CC=C1)C
• InChI: InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
• InChI Key: OISVCGZHLKNMSJ-UHFFFAOYSA-N
• Popularity: 1,853 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₉N
• Molecular Weight: 107.15 g/mol
• Exact Mass: 107.073499291 g/mol
• Topological Polar Surface Area (TPSA): 12.90 Ų
• XlogP: 1.70

Synonyms

• 2,6-LUTIDINE
• 108-48-5
• Lutidine
• Pyridine, 2,6-dimethyl-
• 2,6-Dimethypyridine
• alpha,alpha'-Lutidine
• 2,6-dimethyl-pyridine
• alpha,alpha'-Dimethylpyridine
• HSDB 79
• FEMA No. 3540
• NSC 2155
• 2,6-Lutidene
• 2,6-Litidine-d6
• 2,6-dimethyl pyridine
• .alpha.,.alpha.'-Dimethylpyridine
• .alpha.,.alpha.'-Lutidine
• 15FQ5D0T3P
• DTXSID7051557
• CHEBI:32548
• NSC-2155
• 2,6-DIMETHYLPYRIDINE-D9
• 135742-47-1
• LUT
• alpha,alpha'-Lutidin
• EINECS 203-587-3
• MFCD00006345
• lutidin
• UNII-15FQ5D0T3P
• AI3-24282
• 2,6Lutidine
• 2,6 lutidine
• 2-6-lutidine
• 2.6-lutidine
• 2,6 -lutidine
• 2,6- lutidine
• 2,6-dimethylpiridine
• 2.6-dimethylpyridine
• 2,6-dimethyl pyridin
• 2,6-Lutidine, 8CI
• .alpha.,.alpha.'-Lutidin
• SCHEMBL9611
• CHEMBL22976
• 2,6-LUTIDINE [MI]
• 2,6-LUTIDINE [HSDB]
• DIMETHYLPYRIDINE, 2,6-
• DTXCID1030109
• FEMA 3540
• 2,6-Dimethylpyridine, >=99%
• NSC2155
• 2,6-Dimethylpyridine, redistilled
• 2,6-Lutidine, analytical standard
• Tox21_303862
• 2,6-DIMETHYLPYRIDINE [FHFI]
• BBL013176
• STL163956
• AKOS005716680
• AC-5116
• AM10711
• 2,6-Lutidine, ReagentPlus(R), 98%
• NCGC00357127-01
• BP-30085
• BP-31131
• CAS-108-48-5
• FT-0610735
• L0067
• EN300-19113
• F91703
• 2,6-Lutidine, purified by redistillation, >=99%
• A801883
• AC-907/25014177
• Q209284
• Q-100049
• F0001-0171
• Z104472820
• InChI=1/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H
• 2,6-Lutidine (8CI); 2,6-Dimethylpyridine; NSC 2155; ?,?'-Dimethylpyridine; ?,?'-Lutidine

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3227	P41594	Metabotropic glutamate receptor 5	91.75%	96.42%
CHEMBL3401	O75469	Pregnane X receptor	89.48%	94.73%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	89.05%	93.65%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.64%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.63%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.76%	94.00%
CHEMBL2581	P07339	Cathepsin D	81.43%	98.95%

Plants that contains it

• Nicotiana tabacum

Cross-Links

• PubChem: 7937
• LOTUS: LTS0142640
• wikiData: Q209284