54676757 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 9 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 10 11 11 12 12 12 14 14 15 15 16 16 17 17 18 18 19 8 13 31 5 8 9 6 7 20 7 21 22 23 24 10 11 25 12 13 13 26 14 27 28 15 16 17 29 18 30 19 32 19 33 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 2.866 2.866 4.5981 4.5981 4.5981 4.0981 5.0981 3.732 5.4641 3.732 5.4641 2.866 4.5981 2.866 2 3.732 2 3.732 2.866 5.197 3.5155 3.9904 5.2057 5.6807 6.001 6.001 2.2554 2.654 1.4631 4.269 5.135 1.4631 4.269 3.933 -2.067 0.933 -2.067 -3.067 -3.933 -3.933 -1.567 -1.567 -0.567 -0.567 -0.067 -0.067 0.933 1.433 1.433 2.433 2.433 2.933 -2.9065 -3.721 -4.5436 -4.5436 -3.721 -1.877 -0.257 0.0407 -0.6496 1.123 1.123 1.243 2.743 2.743 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 9 10 11 14 14 15 16 17 18 8 9 10 11 13 13 15 16 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 431 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723100000000000000000000001800000000000000304000000000000000010000001F00000800000C2CC1980C3000830002008802215650008200002022000888010800C80824328091108420002086008899071888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-hydroxy-pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-oxidanyl-pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-cyclopropyl-3-(4-fluorobenzyl)-4-hydroxy-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H14FNO2/c16-11-3-1-10(2-4-11)9-13-14(18)7-8-17(15(13)19)12-5-6-12/h1-4,7-8,12,18H,5-6,9H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YOARALDHKFYYHF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 259.10085685 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H14FNO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 259.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1N2C=CC(=C(C2=O)CC3=CC=C(C=C3)F)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC1N2C=CC(=C(C2=O)CC3=CC=C(C=C3)F)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 259.10085685 19 0 0 0 0 0 0 0 1 -1