1.0 2016-09-30 22:39:36 UTC 2020-04-22 15:06:14 UTC BMDB0000992 BMDB00992 3-Succinoylpyridine 4-oxo-4-(3-Pyridyl)-butanoic acid 4-oxo-4-(3-Pyridyl)-butyric acid 4-oxo-4-(Pyridin-3-yl)butyric acid gamma-oxo-3-Pyridinebutanoic acid gamma-oxo-3-Pyridinebutyric acid 4-oxo-4-(Pyridin-3-yl)butanoate 4-oxo-4-(3-Pyridyl)-butanoate 4-oxo-4-(3-Pyridyl)-butyrate 4-oxo-4-(Pyridin-3-yl)butyrate g-oxo-3-Pyridinebutanoate g-oxo-3-Pyridinebutanoic acid gamma-oxo-3-Pyridinebutanoate Γ-oxo-3-pyridinebutanoate Γ-oxo-3-pyridinebutanoic acid g-oxo-3-Pyridinebutyrate g-oxo-3-Pyridinebutyric acid gamma-oxo-3-Pyridinebutyrate Γ-oxo-3-pyridinebutyrate Γ-oxo-3-pyridinebutyric acid 4-oxo-4-(Pyridin-3-yl)butanoic acid 4-OPC4a 4-oxo-4-(3-Pyridyl)butanoic acid 4-oxo-4-(3-Pyridyl)butyric acid 3-Succinoylpyridine C9H9NO3 179.1727 179.058243159 4-oxo-4-(pyridin-3-yl)butanoic acid 3-succinoylpyridine 4192-31-8 OC(=O)CCC(=O)C1=CC=CN=C1 InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13) JGSUNMCABQUBOY-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. Organic compounds Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives Gamma-keto acids and derivatives Aryl alkyl ketones Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl ketone Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Gamma-keto acid Heteroaromatic compound Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Aromatic heteromonocyclic compounds aromatic ketone monocarboxylic acid pyridines Solid logp 0.08 ALOGPS logs -1.31 ALOGPS logp -0.58 ChemAxon pka_strongest_acidic 3.36 ChemAxon pka_strongest_basic 4 ChemAxon iupac 4-oxo-4-(pyridin-3-yl)butanoic acid ChemAxon average_mass 179.1727 ChemAxon mono_mass 179.058243159 ChemAxon smiles OC(=O)CCC(=O)C1=CC=CN=C1 ChemAxon formula C9H9NO3 ChemAxon inchi InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13) ChemAxon inchikey JGSUNMCABQUBOY-UHFFFAOYSA-N ChemAxon polar_surface_area 67.26 ChemAxon refractivity 45.2 ChemAxon polarizability 17.56 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 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::NmrOneD 145970 Specdb::NmrOneD 145971 Specdb::NmrOneD 145972 Specdb::NmrOneD 145973 Specdb::NmrOneD 145974 Specdb::NmrOneD 145975 Specdb::NmrOneD 145976 Specdb::NmrOneD 145977 Specdb::NmrOneD 145978 Specdb::NmrOneD 145979 Specdb::NmrOneD 145980 Specdb::NmrOneD 145981 Specdb::NmrOneD 145982 Specdb::NmrOneD 145983 Specdb::NmrOneD 145984 Specdb::NmrOneD 145985 Specdb::NmrOneD 145986 Specdb::NmrOneD 145987 Specdb::NmrOneD 145988 Specdb::NmrOneD 145989 Specdb::MsMs 294007 Specdb::MsMs 294008 Specdb::MsMs 294009 Specdb::MsMs 334618 Specdb::MsMs 334619 Specdb::MsMs 334620 Specdb::MsMs 2402045 Specdb::MsMs 2402046 Specdb::MsMs 2402047 Specdb::MsMs 2534121 Specdb::MsMs 2534122 Specdb::MsMs 2534123 Specdb::CMs 12752 Specdb::CMs 37880 Specdb::CMs 159073 Specdb::CMs 1083125 Specdb::MsIr 1022 Specdb::MsIr 1023 Specdb::MsIr 1024 FDB022355 C19569 424 437 66951 CPD-14094 5924 Schwartz, Sorell L.; McKennis, Herbert, Jr. The degradation of the pyrrolidine ring of (-)-nicotine in vitro. Formation of g-(3-pyridyl)-g-oxobutyric acid. Journal of Biological Chemistry (1963), 238 1807-12.