2-Ethyl-6-methylpyridine

Details

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Internal ID 4db067a8-e238-46aa-9763-051fbd2020c8
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Methylpyridines
IUPAC Name 2-ethyl-6-methylpyridine
SMILES (Canonical) CCC1=CC=CC(=N1)C
SMILES (Isomeric) CCC1=CC=CC(=N1)C
InChI InChI=1S/C8H11N/c1-3-8-6-4-5-7(2)9-8/h4-6H,3H2,1-2H3
InChI Key SFSXNVBMAODLGN-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C8H11N
Molecular Weight 121.18 g/mol
Exact Mass 121.089149355 g/mol
Topological Polar Surface Area (TPSA) 12.90 Ų
XlogP 2.10

Synonyms

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1122-69-6
Pyridine, 2-ethyl-6-methyl-
2-Methyl-6-ethylpyridine
2-Picoline, 6-ethyl-
6-Ethyl-2-picoline
6-Ethyl-2-methylpyridine
YPG7D02E36
MFCD00023531
2-ethyl-6-methyl-pyridine
EINECS 214-356-1
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-Ethyl-6-methylpyridine

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3227 P41594 Metabotropic glutamate receptor 5 94.32% 96.42%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 92.47% 93.65%
CHEMBL1907 P15144 Aminopeptidase N 90.65% 93.31%
CHEMBL3401 O75469 Pregnane X receptor 89.75% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.66% 86.33%
CHEMBL2581 P07339 Cathepsin D 87.95% 98.95%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 82.73% 94.03%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.72% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.79% 96.09%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 80.91% 96.39%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.58% 94.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Camellia sinensis

Cross-Links

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PubChem 14287
LOTUS LTS0223538
wikiData Q63399568