1.0 2026-09-22 03:07:48 UTC 2026-09-22 03:07:48 UTC FDB117592 furegrelate 5-(3-pyridylmethyl)benzofuran-2-carboxylic acid 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid C15H11NO3 253.257 253.073893218 5-[(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylic acid 5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylic acid OC(=O)C1=CC2=C(O1)C=CC(CC1=CN=CC=C1)=C2 InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18) VHWFITPGPFLBGT-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Benzofurans Organic compounds Organoheterocyclic compounds Benzofurans Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carboxylic acids Furoic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Pyridines and derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Benzofuran Carboxylic acid Carboxylic acid derivative Furan Furoic acid Furoic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyridine logp 2.08 ALOGPS logs -3.63 ALOGPS solubility 5.94e-02 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic -10 ChemAxon pka_strongest_basic 10.02 ChemAxon iupac 5-[(pyridin-3-yl)methyl]-1-benzofuran-2-carboxylic acid ChemAxon average_mass 253.257 ChemAxon mono_mass 253.073893218 ChemAxon smiles OC(=O)C1=CC2=C(O1)C=CC(CC1=CN=CC=C1)=C2 ChemAxon formula C15H11NO3 ChemAxon inchi InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18) ChemAxon inchikey VHWFITPGPFLBGT-UHFFFAOYSA-N ChemAxon polar_surface_area 63.33 ChemAxon refractivity 69.61 ChemAxon polarizability 25.97 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3435452 Specdb::MsMs 3435453 Specdb::MsMs 3435454 Specdb::MsMs 3435455 Specdb::MsMs 3435456 Specdb::MsMs 3435457 Specdb::NmrOneD 186621 Specdb::NmrOneD 186622 Specdb::NmrOneD 186623 Specdb::NmrOneD 186624 Specdb::NmrOneD 186625 Specdb::NmrOneD 186626 Specdb::NmrOneD 186627 Specdb::NmrOneD 186628 Specdb::NmrOneD 186629 Specdb::NmrOneD 186630 Specdb::NmrOneD 186631 Specdb::NmrOneD 186632 Specdb::NmrOneD 186633 Specdb::NmrOneD 186634 Specdb::NmrOneD 186635 Specdb::NmrOneD 186636 Specdb::NmrOneD 186637 Specdb::NmrOneD 186638 Specdb::NmrOneD 186639 Specdb::NmrOneD 186640 Specdb::CMs 110755 Specdb::CMs 123804 Specdb::CMs 886342 Specdb::CMs 886343