1.0 2016-09-30 22:37:24 UTC 2020-04-22 15:05:34 UTC BMDB0000842 BMDB00842 Quinaldic acid 2-Carboxyquinoline 2-Chinolincarbonsaeure 2-Quinolinecarboxylate 2-Quinolinecarboxylic acid Chinaldinsaeure Quinaldate Quinaldinic acid Quinoline-2-carboxylic acid Quinaldinate Quinoline-2-carboxylate 2-Quinolinylcarboxylate 2-Quinolinylcarboxylic acid Quinolin-2-carboxylate Quinolin-2-carboxylic acid Quinaldic acid C10H7NO2 173.1681 173.047678473 quinoline-2-carboxylic acid quinaldic acid 93-10-7 OC(=O)C1=NC2=C(C=CC=C2)C=C1 InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Quinoline carboxylic acids Azacyclic compounds Benzenoids Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridinecarboxylic acids Aromatic heteropolycyclic compound Azacycle Benzenoid Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Quinoline-2-carboxylic acid Aromatic heteropolycyclic compounds quinolinemonocarboxylic acid Solid melting_point 156 °C water_solubility 14.0 mg/mL logp 1.44 ALOGPS logs -2.36 ALOGPS logp 0.79 ChemAxon pka_strongest_acidic 1.1 ChemAxon pka_strongest_basic 5.22 ChemAxon iupac quinoline-2-carboxylic acid ChemAxon average_mass 173.1681 ChemAxon mono_mass 173.047678473 ChemAxon smiles OC(=O)C1=NC2=C(C=CC=C2)C=C1 ChemAxon formula C10H7NO2 ChemAxon inchi InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) ChemAxon inchikey LOAUVZALPPNFOQ-UHFFFAOYSA-N ChemAxon polar_surface_area 50.19 ChemAxon refractivity 46.86 ChemAxon polarizability 17.27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1505 Specdb::MsIr 902 Specdb::MsIr 903 Specdb::MsIr 904 Specdb::CMs 9040 Specdb::CMs 32197 Specdb::CMs 37797 Specdb::CMs 99616 Specdb::CMs 155806 Specdb::CMs 1079404 Specdb::NmrOneD 1563 Specdb::MsMs 1187 Specdb::MsMs 1188 Specdb::MsMs 1189 Specdb::MsMs 263394 Specdb::MsMs 263395 Specdb::MsMs 263396 Specdb::MsMs 283323 Specdb::MsMs 283324 Specdb::MsMs 283325 Specdb::MsMs 451980 Specdb::MsMs 2236547 Specdb::MsMs 2236849 Specdb::MsMs 2238614 Specdb::MsMs 2238947 Specdb::MsMs 2240613 Specdb::MsMs 2241102 Specdb::MsMs 2242710 Specdb::MsMs 2243116 Specdb::MsMs 2249052 Specdb::MsMs 2249319 Specdb::MsMs 2250332 Specdb::MsMs 2252074 Specdb::MsMs 2733708 Specdb::MsMs 2733709 Specdb::MsMs 2733710 6857 FDB022275 18386 7124 C00056094 C06325 DB02428 5805