774017 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 35 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 4 -1 8 1 1 2 2 3 4 5 6 6 6 7 7 8 9 9 11 11 12 13 14 15 15 16 16 17 18 17 9 13 10 8 8 10 12 20 12 18 13 10 11 14 19 15 14 21 16 22 17 23 18 24 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 2 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 9.6801 4.3794 5.35 2 3.5823 6.216 7.948 2.9945 4.4839 5.35 3.5704 7.082 3.4013 2.9013 7.082 7.948 8.8141 8.8141 3.4415 6.216 2.2846 6.5451 7.948 9.351 2.4625 -0.532 1.9625 -1.758 -2.4625 0.4625 0.4625 -1.6535 0.4625 0.9625 0.8692 0.9625 -0.7399 0.1261 1.9625 2.4625 1.9625 0.9625 1.4757 -0.1575 0.1909 2.2725 3.0825 0.6525 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 9 11 12 13 15 16 17 9 13 12 18 11 14 15 14 16 17 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 336 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371807338000010000000000000000000000001200000002C000000000000000001E000001E0054000001A804C192043DB492D85440A900B37777028288293D222429D821FE6CFA8E26F2C4BDBF8F3928ECD513D8EBB6BC17020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-bromo-2-pyridyl)-5-nitro-furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-bromo-2-pyridinyl)-5-nitro-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(5-bromopyridin-2-yl)-5-nitrofuran-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-bromopyridin-2-yl)-5-nitrofuran-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-bromanylpyridin-2-yl)-5-nitro-furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(5-bromo-2-pyridyl)-5-nitro-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H6BrN3O4/c11-6-1-3-8(12-5-6)13-10(15)7-2-4-9(18-7)14(16)17/h1-5H,(H,12,13,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IWEUGKPFSBXXAK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 310.95417 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H6BrN3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 312.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=NC=C1Br)NC(=O)C2=CC=C(O2)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=NC=C1Br)NC(=O)C2=CC=C(O2)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 101 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 310.95417 18 0 0 0 0 0 0 0 1 -1