1.0 2016-09-30 22:47:22 UTC 2020-04-22 15:08:37 UTC BMDB0001538 BMDB01538 3-Pyridylacetic acid 3-Pyridylacetate 2-(3-Pyridyl)acetate 2-(3-Pyridyl)acetic acid 2-(Pyridin-3-yl)acetate 2-(Pyridin-3-yl)acetic acid 3-Carboxymethylpyridine a-(3-Pyridyl)acetate a-(3-Pyridyl)acetic acid alpha-(3-Pyridyl)acetate alpha-(3-Pyridyl)acetic acid Coletin Lessterol Lioxone Minedil Piridil Piristerol Pyridin-3-ylacetate Pyridin-3-ylacetic acid Toneon 2-(3-Pyridine)acetic acid 3-Pyridineacetic acid C7H7NO2 137.136 137.047678473 2-(pyridin-3-yl)acetic acid 3-pyridylacetic acid 501-81-5 OC(=O)CC1=CN=CC=C1 InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10) WGNUNYPERJMVRM-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 Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds 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 Aromatic heteromonocyclic compounds monocarboxylic acid pyridines Solid logp 0.43 ALOGPS logs -0.37 ALOGPS logp -0.59 ChemAxon pka_strongest_acidic 3.61 ChemAxon pka_strongest_basic 4.97 ChemAxon iupac 2-(pyridin-3-yl)acetic acid ChemAxon average_mass 137.136 ChemAxon mono_mass 137.047678473 ChemAxon smiles OC(=O)CC1=CN=CC=C1 ChemAxon formula C7H7NO2 ChemAxon inchi InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10) ChemAxon inchikey WGNUNYPERJMVRM-UHFFFAOYSA-N ChemAxon polar_surface_area 50.19 ChemAxon refractivity 35.21 ChemAxon polarizability 13.18 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 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::CMs 758 Specdb::CMs 10072 Specdb::CMs 30139 Specdb::CMs 30449 Specdb::CMs 38113 Specdb::CMs 146221 Specdb::MsIr 1323 Specdb::MsIr 1324 Specdb::MsIr 1325 Specdb::NmrTwoD 1667 Specdb::NmrOneD 1726 Specdb::NmrOneD 9542 Specdb::NmrOneD 9543 Specdb::NmrOneD 9544 Specdb::NmrOneD 9545 Specdb::NmrOneD 9546 Specdb::NmrOneD 9547 Specdb::NmrOneD 9548 Specdb::NmrOneD 9549 Specdb::NmrOneD 9550 Specdb::NmrOneD 9551 Specdb::NmrOneD 9552 Specdb::NmrOneD 9553 Specdb::NmrOneD 9554 Specdb::NmrOneD 9555 Specdb::NmrOneD 9556 Specdb::NmrOneD 9557 Specdb::NmrOneD 9558 Specdb::NmrOneD 9559 Specdb::NmrOneD 9560 Specdb::NmrOneD 9561 Specdb::NmrOneD 166339 Specdb::NmrOneD 166536 Specdb::MsMs 1634 Specdb::MsMs 1635 Specdb::MsMs 1636 Specdb::MsMs 288250 Specdb::MsMs 288251 Specdb::MsMs 288252 Specdb::MsMs 327307 Specdb::MsMs 327308 Specdb::MsMs 327309 Specdb::MsMs 2248564 Specdb::MsMs 2695971 Specdb::MsMs 2695972 Specdb::MsMs 2695973 Specdb::MsMs 2982209 Specdb::MsMs 2982210 Specdb::MsMs 2982211 FDB022679 106 108 86390 6308 aquet, Andre; Marison, Ian W.; Meyer, Hans Peter; Von Stockar, Urs. Choice of a method for in situ recovery of 3-pyridylacetic acid formed by biotransformation with Pseudomonas oleovorans. Chimia (1996), 50(9), 426-427.