1.0 2016-09-30 22:41:18 UTC 2020-04-22 15:06:44 UTC BMDB0001119 BMDB01119 4-Hydroxy-4-(3-pyridyl)-butanoic acid 4-Hydroxy-4-(3-pyridyl)-butanoate 4-HOPC4a 4-Hydroxy-4-(3-pyridyl)butanoic acid 4-Hydroxy-4-(3-pyridyl)butyric acid 4-(3-Pyridyl)-4-hydroxybutyrate 4-(3-Pyridyl)-4-hydroxybutyric acid gamma-(3-Pyridyl)-gamma-hydroxybutyrate gamma-(3-Pyridyl)-gamma-hydroxybutyric acid g-Hydroxy-3-pyridinebutanoate g-Hydroxy-3-pyridinebutanoic acid gamma-Hydroxy-3-pyridinebutanoic acid Γ-hydroxy-3-pyridinebutanoate Γ-hydroxy-3-pyridinebutanoic acid C9H11NO3 181.1885 181.073893223 4-hydroxy-4-(pyridin-3-yl)butanoic acid 4-hydroxy-4-(pyridin-3-yl)butanoic acid 15569-97-8 OC(CCC(O)=O)C1=CC=CN=C1 InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13) STZOZPPVGWNSMC-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridines and derivatives Aromatic alcohols Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Azacycle Carbonyl group 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 Secondary alcohol Aromatic heteromonocyclic compounds pyridines Solid logp 0.16 ALOGPS logs -1.13 ALOGPS logp -0.8 ChemAxon pka_strongest_acidic 3.84 ChemAxon pka_strongest_basic 4.77 ChemAxon iupac 4-hydroxy-4-(pyridin-3-yl)butanoic acid ChemAxon average_mass 181.1885 ChemAxon mono_mass 181.073893223 ChemAxon smiles OC(CCC(O)=O)C1=CC=CN=C1 ChemAxon formula C9H11NO3 ChemAxon inchi InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13) ChemAxon inchikey STZOZPPVGWNSMC-UHFFFAOYSA-N ChemAxon polar_surface_area 70.42 ChemAxon refractivity 45.93 ChemAxon polarizability 18.13 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 294238 Specdb::MsMs 294239 Specdb::MsMs 294240 Specdb::MsMs 334903 Specdb::MsMs 334904 Specdb::MsMs 334905 Specdb::MsMs 2473493 Specdb::MsMs 2473494 Specdb::MsMs 2473495 Specdb::MsMs 2489301 Specdb::MsMs 2489302 Specdb::MsMs 2489303 Specdb::MsIr 1080 Specdb::MsIr 1081 Specdb::MsIr 1082 Specdb::CMs 12862 Specdb::CMs 37932 Specdb::CMs 150045 C19579 425 FDB022433 438 82573 6015