7963 1 2 3 4 5 6 7 8 9 10 11 12 13 14 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 5 6 7 6 7 3 4 5 6 8 7 9 10 11 12 13 14 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2.866 2.866 3.732 2 2.866 3.732 2 4.269 1.4631 3.486 2.866 2.246 4.269 1.4631 -1.5 0.5 0 -0 1.5 -1 -1 0.31 0.31 1.5 2.12 1.5 -1.31 -1.31 8 8 8 8 8 8 1 1 2 2 3 4 6 7 3 4 6 7 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371806200000000000000000000000000000000000000002C0000000000000000018000001C00000000000C00C11A043E8092081000A0023067440082802031022008D820386498082062C09191842008608000C8C8061000000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methylpyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methylpyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methylpyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methylpyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methylpyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 gamma-picoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FKNQCJSGGFJEIZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 93.057849228 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H7N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 93.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=NC=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=NC=C1 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 93.057849228 7 0 0 0 0 0 0 0 1 -1