1.0 2010-04-08 22:14:33 UTC 2019-11-26 03:17:48 UTC FDB019728 2-Ethyl-5-methylpyridine Constituent of coffee aroma and cooked shrimp (Parapenaeus fissurus). Maillard product. 2-Ethyl-5-methylpyridine is found in coffee and coffee products and crustaceans. 5-methyl-2-ethyl pyridine 6-Ethyl-3-picoline C8H11N 121.1796 121.089149357 2-ethyl-5-methylpyridine 2-ethyl-5-methylpyridine 18113-81-0 CCC1=NC=C(C)C=C1 InChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3 COHDGTRFTKHYSJ-UHFFFAOYSA-N belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. Methylpyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Methylpyridines Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Methylpyridine Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 2.17 ALOGPS logs -0.58 ALOGPS solubility 3.21e+01 g/l ALOGPS logp 2.1 ChemAxon pka_strongest_basic 6.06 ChemAxon iupac 2-ethyl-5-methylpyridine ChemAxon average_mass 121.1796 ChemAxon mono_mass 121.089149357 ChemAxon smiles CCC1=NC=C(C)C=C1 ChemAxon formula C8H11N ChemAxon inchi InChI=1S/C8H11N/c1-3-8-5-4-7(2)6-9-8/h4-6H,3H2,1-2H3 ChemAxon inchikey COHDGTRFTKHYSJ-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 38.16 ChemAxon polarizability 14.47 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21481 Specdb::CMs 133529 Specdb::CMs 141263 Specdb::MsIr 8532 Specdb::MsIr 8533 Specdb::NmrOneD 38122 Specdb::NmrOneD 38123 Specdb::NmrOneD 38124 Specdb::NmrOneD 38125 Specdb::NmrOneD 38126 Specdb::NmrOneD 38127 Specdb::NmrOneD 38128 Specdb::NmrOneD 38129 Specdb::NmrOneD 38130 Specdb::NmrOneD 38131 Specdb::NmrOneD 38132 Specdb::NmrOneD 38133 Specdb::NmrOneD 38134 Specdb::NmrOneD 38135 Specdb::NmrOneD 38136 Specdb::NmrOneD 38137 Specdb::NmrOneD 38138 Specdb::NmrOneD 38139 Specdb::NmrOneD 38140 Specdb::NmrOneD 38141 Specdb::MsMs 313774 Specdb::MsMs 313775 Specdb::MsMs 313776 Specdb::MsMs 359344 Specdb::MsMs 359345 Specdb::MsMs 359346 Specdb::MsMs 2797238 Specdb::MsMs 2797239 Specdb::MsMs 2797240 Specdb::MsMs 2881820 Specdb::MsMs 2881821 Specdb::MsMs 2881822 HMDB40041 #<Reference:0x000055ce3189d2a8> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Crustaceans Unknown generic 6657 Robusta coffee Type 1 specific Coffea canephora 49390