46312080 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 9 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 6 6 7 7 8 8 9 9 10 10 12 12 13 13 14 11 5 13 15 5 6 7 8 9 16 10 17 12 18 11 19 11 20 14 21 14 15 22 1 1 2 3 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 1 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 2 6.3301 8.9282 4.5981 5.4641 3.732 4.5981 5.4641 2.866 3.732 2.866 6.3301 7.1962 7.1962 8.0622 3.732 5.135 4.9272 2.3291 3.732 6.3301 7.7331 -1.75 -0.25 -0.75 -0.25 0.25 0.25 -1.25 1.25 -0.25 -1.75 -1.25 1.75 0.25 1.25 -0.25 0.87 -1.56 1.56 0.06 -2.37 2.37 1.56 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 5 6 7 8 9 10 12 13 5 13 6 7 8 9 10 12 11 11 14 14 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 250 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371807301000000000000000000000000000000000000003C400000000000000001C000001D00000000000C08811E08308092081000B00724624400A2802021022008982030649808A0E2C09191842008608000C8C80F1080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-fluorophenyl)pyridine-2-carbonitrile IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-fluorophenyl)-2-pyridinecarbonitrile IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-fluorophenyl)pyridine-2-carbonitrile IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-fluorophenyl)pyridine-2-carbonitrile IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-fluorophenyl)pyridine-2-carbonitrile IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-fluorophenyl)picolinonitrile InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H7FN2/c13-10-6-4-9(5-7-10)12-3-1-2-11(8-14)15-12/h1-7H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MJJROHFGARFOSU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 198.05932639 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H7FN2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 198.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=NC(=C1)C2=CC=C(C=C2)F)C#N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=NC(=C1)C2=CC=C(C=C2)F)C#N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 36.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 198.05932639 15 0 0 0 0 0 0 0 1 -1