5310970 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 17 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 10 11 12 12 13 13 14 15 15 16 4 5 23 14 16 6 8 17 7 9 18 7 19 20 21 22 10 24 25 11 12 11 26 27 28 13 14 15 29 30 16 31 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 4 2 6 8 17 1 1 5 2 9 7 18 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 25 26 27 28 29 30 31 4.6949 3.9248 3.3681 4.6614 4.4026 6.0604 5.8016 2.6428 3.3268 2 2.342 3.6688 4.6537 3.0261 4.9957 4.3529 4.8814 4.1826 6.6544 6.2553 5.6066 6.3955 3.6148 2.7653 2.0841 1.6015 1.4631 1.9435 5.0522 2.4155 5.6063 -3.6302 3.0932 -2.5168 2.1106 1.1447 1.6018 0.6359 2.008 0.1286 1.242 0.3023 -0.8111 -0.9847 -1.5771 -1.9244 -2.6904 2.9316 0.3236 1.424 2.1903 0.0473 0.4581 3.6302 2.6158 2.2768 1.7169 0.932 -0.1727 -0.5098 -1.4694 -2.0321 8 8 6 5 8 8 8 8 3 3 4 5 12 12 13 15 14 16 17 18 13 14 15 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 290 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07300000400000000000000000000000001600000002C0000000400100000018000001C02100000000C2AC11A243C8092C81000A0023067440082802031072008D8A03866980820E2C19391842008609000C8C8071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,6R)-2-(6-chloro-3-pyridyl)-9-azabicyclo[4.2.1]non-2-ene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,6R)-2-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-2-ene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1<I>R</I>,6<I>R</I>)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]non-2-ene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,6R)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]non-2-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,6R)-2-(6-chloranylpyridin-3-yl)-9-azabicyclo[4.2.1]non-2-ene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,6R)-2-(6-chloro-3-pyridyl)-9-azabicyclo[4.2.1]non-2-ene InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2/t10-,12-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 TVSNVPGPFGAKPT-ZYHUDNBSSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.0923762 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C13H15ClN2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.72 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC2CCC(N2)C(=C1)C3=CN=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C[C@@H]2CC[C@@H](N2)C(=C1)C3=CN=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 24.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 234.0923762 16 2 2 0 0 0 0 0 1 -1