5-Ethyl-2-methylpyridine

Details

• Internal ID: 8b47fbe6-8c44-45c4-af27-fc39b4a1f45e
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Methylpyridines
• IUPAC Name: 5-ethyl-2-methylpyridine
• SMILES (Canonical): CCC1=CN=C(C=C1)C
• SMILES (Isomeric): CCC1=CN=C(C=C1)C
• InChI: InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
• InChI Key: NTSLROIKFLNUIJ-UHFFFAOYSA-N
• Popularity: 149 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₁N
• Molecular Weight: 121.18 g/mol
• Exact Mass: 121.089149355 g/mol
• Topological Polar Surface Area (TPSA): 12.90 Ų
• XlogP: 2.00

Synonyms

• 104-90-5
• 5-Ethyl-2-picoline
• Aldehydine
• 2-METHYL-5-ETHYLPYRIDINE
• Aldehydkollidin
• Aldehydecollidine
• Pyridine, 5-ethyl-2-methyl-
• 2-Picoline, 5-ethyl-
• 5-Ethyl-2-methyl-pyridine
• 2,5-Aldehydine
• 3-Ethyl-6-methylpyridine
• 6-Methyl-3-ethylpyridine
• Collidine, aldehydecollidine
• 5-Ethyl-alpha-picoline
• FEMA No. 3546
• NSC 1984
• 5-Ethyl-.alpha.-picoline
• WG205CGK3Y
• DTXSID7021861
• NSC-1984
• 5-Ethyl-2-methylpyridine, >=96%
• MEP (VAN)
• HSDB 5137
• EINECS 203-250-0
• UN2300
• UNII-WG205CGK3Y
• 2-Methyl-5-ethyl pyridine
• 5-Ethyl-2-methyl pyridine
• BRN 0109269
• AI3-19225
• 5-Ethyl-a-picoline
• MFCD00006344
• EC 203-250-0
• SCHEMBL24448
• 5-20-06-00086 (Beilstein Handbook Reference)
• WLN: T6NJ B1 E2
• 2-Methyl-5-ethylpyridine MEP
• CHEMBL227181
• DTXCID901861
• FEMA 3546
• NSC1984
• CHEBI:179423
• 5-ETHYL-2-PICOLINE [MI]
• AMY21865
• ETHYL-2-METHYLPYRIDINE, 5-
• Tox21_303710
• AKOS000120418
• AC-5961
• UN 2300
• 2-METHYL-5-ETHYLPYRIDINE [HSDB]
• 5-ETHYL-2-METHYLPYRIDINE [FHFI]
• NCGC00357258-01
• CAS-104-90-5
• E0142
• FT-0620374
• EN300-20453
• 5-Ethyl-2-methylpyridine(5-Ethyl-2-picoline)
• D88165
• 2-Methyl-5-ethylpyridine [UN2300] [Poison]
• AC-907/25014214
• Q-200539
• Q27292618
• F0001-0092
• 5-Ethyl-2-methylpyridine, Lonza quality, >=96.0% (GC)
• InChI=1/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H

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
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	93.38%	93.65%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.71%	96.09%
CHEMBL3492	P49721	Proteasome Macropain subunit	90.56%	90.24%
CHEMBL2581	P07339	Cathepsin D	89.98%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	87.51%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.34%	94.00%
CHEMBL2039	P27338	Monoamine oxidase B	87.13%	92.51%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.93%	86.33%
CHEMBL4145	Q9UKV0	Histone deacetylase 9	82.43%	85.49%

Plants that contains it

• Camellia sinensis
• Mentha × piperita
• Phaseolus vulgaris

Cross-Links

• PubChem: 7728
• LOTUS: LTS0166284
• wikiData: Q27292618