1.0 2010-04-08 22:10:02 UTC 2019-11-26 03:06:20 UTC FDB012187 2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine Constituent of chicken eggs. 2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine is found in eggs. 1H-Benzimidazole, 2-(3-methylbutyl)- 2-(3-methylbutyl)-1h-benzimidazole 2-Isopentyl-7-azaindole C12H16N2 188.2688 188.131348522 2-(3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine 2-(3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine 946-18-9 CC(C)CCC1=CC2=C(N1)N=CC=C2 InChI=1S/C12H16N2/c1-9(2)5-6-11-8-10-4-3-7-13-12(10)14-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14) XBGGOCFKYZBURE-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolopyridines. Pyrrolopyridines are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. Pyrrolopyridines Organic compounds Organoheterocyclic compounds Pyrrolopyridines Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyridine Pyrrole Pyrrolopyridine Substituted pyrrole logp 3.73 ALOGPS logs -3.39 ALOGPS solubility 7.72e-02 g/l ALOGPS melting_point Mp 150-151° logp 3.12 ChemAxon pka_strongest_acidic 15.78 ChemAxon pka_strongest_basic 4.48 ChemAxon iupac 2-(3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine ChemAxon average_mass 188.2688 ChemAxon mono_mass 188.131348522 ChemAxon smiles CC(C)CCC1=CC2=C(N1)N=CC=C2 ChemAxon formula C12H16N2 ChemAxon inchi InChI=1S/C12H16N2/c1-9(2)5-6-11-8-10-4-3-7-13-12(10)14-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14) ChemAxon inchikey XBGGOCFKYZBURE-UHFFFAOYSA-N ChemAxon polar_surface_area 28.68 ChemAxon refractivity 58.36 ChemAxon polarizability 22.7 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6368 Specdb::MsIr 6369 Specdb::MsIr 6370 Specdb::CMs 9919 Specdb::CMs 168068 Specdb::MsMs 45858 Specdb::MsMs 45859 Specdb::MsMs 45860 Specdb::MsMs 127494 Specdb::MsMs 127495 Specdb::MsMs 127496 Specdb::MsMs 2725625 Specdb::MsMs 2725626 Specdb::MsMs 2725627 Specdb::MsMs 2956629 Specdb::MsMs 2956630 Specdb::MsMs 2956631 HMDB33961 #<Reference:0x000055ce32318868> Eggs Unknown generic