1.0 2016-09-30 23:01:29 UTC 2020-04-22 15:11:21 UTC BMDB0002730 BMDB02730 Nicotinamide N-oxide 1-Oxide-(8ci)-nicotinamide 1-Oxide-3-pyridinecarboxamide 1-Oxide-nicotinamide 1-Oxy-nicotinamide Nicotinamide 1-oxide Nicotinamide N1-oxide Nicotinamide-N-oxide 1-oxo-1Λ⁵-pyridine-3-carboximidate Nicotinamide N-oxide C6H6N2O2 138.124 138.042927446 3-carbamoylpyridin-1-ium-1-olate 3-pyridinecarboxamide, 1-oxide 1986-81-8 NC(=O)C1=C[N+]([O-])=CC=C1 InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9) USSFUVKEHXDAPM-UHFFFAOYSA-N belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Nicotinamides Azacyclic compounds Carboximidic acids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Carboximidic acid Carboximidic acid derivative Heteroaromatic compound Hydrocarbon derivative Nicotinamide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Aromatic heteromonocyclic compounds a small molecule Solid melting_point 289 - 293 °C logp -1.08 ALOGPS logs -1.58 ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 12.76 ChemAxon pka_strongest_basic -0.0075 ChemAxon iupac 3-carbamoylpyridin-1-ium-1-olate ChemAxon average_mass 138.124 ChemAxon mono_mass 138.042927446 ChemAxon smiles NC(=O)C1=C[N+]([O-])=CC=C1 ChemAxon formula C6H6N2O2 ChemAxon inchi InChI=1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9) ChemAxon inchikey USSFUVKEHXDAPM-UHFFFAOYSA-N ChemAxon polar_surface_area 68.55 ChemAxon refractivity 36.67 ChemAxon polarizability 12.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 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 287530 Specdb::MsMs 287531 Specdb::MsMs 287532 Specdb::MsMs 326401 Specdb::MsMs 326402 Specdb::MsMs 326403 Specdb::MsMs 2365657 Specdb::MsMs 2365658 Specdb::MsMs 2365659 Specdb::MsMs 2596981 Specdb::MsMs 2596982 Specdb::MsMs 2596983 Specdb::MsIr 1823 Specdb::MsIr 1824 Specdb::MsIr 1825 Specdb::NmrOneD 128918 Specdb::NmrOneD 128919 Specdb::NmrOneD 128920 Specdb::NmrOneD 128921 Specdb::NmrOneD 128922 Specdb::NmrOneD 128923 Specdb::NmrOneD 128924 Specdb::NmrOneD 128925 Specdb::NmrOneD 128926 Specdb::NmrOneD 128927 Specdb::NmrOneD 128928 Specdb::NmrOneD 128929 Specdb::NmrOneD 128930 Specdb::NmrOneD 128931 Specdb::NmrOneD 128932 Specdb::NmrOneD 128933 Specdb::NmrOneD 128934 Specdb::NmrOneD 128935 Specdb::NmrOneD 128936 Specdb::NmrOneD 128937 Specdb::CMs 9746 Specdb::CMs 130569 Specdb::CMs 138303 FDB023057 65522 72661 1503 Liu, Zhenxiang; Cai, Chun. Synthesis of 2-chloronicotinonitrile. Jingxi Huagong Zhongjianti (2005), 35(3), 28-30.