1.0 2026-09-21 19:02:29 UTC 2026-09-21 19:02:29 UTC FDB116939 fusaric acid 5-butylpyridine-2-carboxylic acid C10H13NO2 179.2157 179.094628665 5-butylpyridine-2-carboxylic acid fusaric acid CCCCC1=CN=C(C=C1)C(O)=O InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13) DGMPVYSXXIOGJY-UHFFFAOYSA-N belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring. 5-alkyl-2-carboxypyrimidines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Aromatic heteromonocyclic compounds Azacyclic compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds 5-alkyl-2-carboxypyrimidine Aromatic heteromonocyclic compound Azacycle 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 Piperidine alkaloids aromatic carboxylic acid pyridines logp 1.99 ALOGPS logs -1.58 ALOGPS solubility 4.73e+00 g/l ALOGPS logp 1.1 ChemAxon pka_strongest_acidic 1.13 ChemAxon pka_strongest_basic 5.86 ChemAxon iupac 5-butylpyridine-2-carboxylic acid ChemAxon average_mass 179.2157 ChemAxon mono_mass 179.094628665 ChemAxon smiles CCCCC1=CN=C(C=C1)C(O)=O ChemAxon formula C10H13NO2 ChemAxon inchi InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13) ChemAxon inchikey DGMPVYSXXIOGJY-UHFFFAOYSA-N ChemAxon polar_surface_area 50.19 ChemAxon refractivity 49.63 ChemAxon polarizability 19.67 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 519 Specdb::CMs 104186 Specdb::CMs 116150 Specdb::CMs 886363 Specdb::CMs 886364 Specdb::NmrOneD 186741 Specdb::NmrOneD 186742 Specdb::NmrOneD 186743 Specdb::NmrOneD 186744 Specdb::NmrOneD 186745 Specdb::NmrOneD 186746 Specdb::NmrOneD 186747 Specdb::NmrOneD 186748 Specdb::NmrOneD 186749 Specdb::NmrOneD 186750 Specdb::NmrOneD 186751 Specdb::NmrOneD 186752 Specdb::NmrOneD 186753 Specdb::NmrOneD 186754 Specdb::NmrOneD 186755 Specdb::NmrOneD 186756 Specdb::NmrOneD 186757 Specdb::NmrOneD 186758 Specdb::NmrOneD 186759 Specdb::NmrOneD 186760 Specdb::MsMs 81759 Specdb::MsMs 81760 Specdb::MsMs 81761 Specdb::MsMs 142944 Specdb::MsMs 142945 Specdb::MsMs 142946 Specdb::MsMs 2227221 Specdb::MsMs 2227466 Specdb::MsMs 2229658 Specdb::MsMs 2229844 Specdb::MsMs 2234522 Specdb::MsMs 3435500 Specdb::MsMs 3435501 Specdb::MsMs 3435502 Specdb::MsMs 3435503 Specdb::MsMs 3435504 Specdb::MsMs 3435505