71302557 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 7 7 8 8 9 10 10 11 11 11 12 12 13 13 14 6 14 5 6 7 5 8 11 15 10 9 16 9 17 18 12 19 20 21 22 13 23 14 24 1 2 1 1 1 2 2 1 1 1 1 1 1 2 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 8.0622 6.3301 4.5981 2.866 3.732 5.4641 4.5981 2.866 3.732 5.4641 2 6.3301 7.1962 7.1962 3.732 5.135 2.3291 3.732 4.9272 2.31 1.4631 1.69 6.3301 7.7331 -0.25 -0.25 -0.25 -0.25 0.25 0.25 -1.25 -1.25 -1.75 1.25 0.25 1.75 1.25 0.25 0.87 -1.56 -1.56 -2.37 1.56 0.7869 0.56 -0.2869 2.37 1.56 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 6 7 8 10 12 13 6 14 5 7 5 8 10 9 9 12 13 14 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 183 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07201000000000000000000000000000000000000003C400000000000000001C000001D00000000000C08811E08328092081000A003246244008280202102200898203064980820E2C09191842008608000C8C8071080C00E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-(m-tolyl)pyridine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-(3-methylphenyl)pyridine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-(3-methylphenyl)pyridine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-(3-methylphenyl)pyridine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoranyl-6-(3-methylphenyl)pyridine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-6-(m-tolyl)pyridine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H10FN/c1-9-4-2-5-10(8-9)11-6-3-7-12(13)14-11/h2-8H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QYGLBCXPYNRJMK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.079727485 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H10FN Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.21 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)C2=NC(=CC=C2)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=CC=C1)C2=NC(=CC=C2)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 12.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.079727485 14 0 0 0 0 0 0 0 1 -1