71302558 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 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 6 6 7 7 8 9 10 10 11 11 11 12 12 13 13 14 5 14 5 6 7 8 9 11 10 8 15 9 16 17 18 12 19 20 21 22 13 23 14 24 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 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 2 2.866 3.732 3.732 3.732 4.5981 2.866 4.5981 2.866 4.5981 3.732 4.5981 3.732 2.866 5.135 2.3291 5.135 2.3291 5.135 3.112 3.732 4.352 5.135 3.732 3 1.5 -0 -2 1 -0.5 -0.5 -1.5 -1.5 1.5 -3 2.5 3 2.5 -0.19 -0.19 -1.81 -1.81 1.19 -3 -3.62 -3 2.81 3.62 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 5 6 7 10 12 13 5 14 6 7 8 9 10 8 9 12 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 175 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07201000000000000000000000000000000000000003C400000000000000001C000001D00000000000C08811E08328092081000A003246244008280202102200898203064980820E2C09191842008608000C8C8071080C00E40000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-fluoro-6-(p-tolyl)pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-fluoro-6-(4-methylphenyl)pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-fluoro-6-(4-methylphenyl)pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-fluoro-6-(4-methylphenyl)pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-fluoranyl-6-(4-methylphenyl)pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-fluoro-6-(p-tolyl)pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H10FN/c1-9-5-7-10(8-6-9)11-3-2-4-12(13)14-11/h2-8H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HXQJIZMCDAUPCA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 187.079727485 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H10FN Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 187.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)C2=NC(=CC=C2)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)C2=NC(=CC=C2)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 187.079727485 14 0 0 0 0 0 0 0 1 -1