70169752 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 17 7 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 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 10 11 11 12 12 13 10 9 12 4 5 9 14 6 15 16 7 17 18 8 19 20 8 21 22 23 24 10 11 13 25 13 26 27 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 23 24 25 26 27 2 4.5981 3.732 4.5981 2.866 4.5981 2.866 3.732 3.732 2.866 2.866 4.5981 3.732 4.269 5.2087 4.8101 2.654 2.2554 4.8101 5.2087 2.2554 2.654 3.3335 4.1306 2.3291 5.135 3.732 0.5 1 -0.5 -1 -1 -2 -2 -2.5 0.5 1 2 2 2.5 -0.19 -1.1077 -0.4174 -0.4174 -1.1077 -2.5826 -1.8923 -1.8923 -2.5826 -2.975 -2.975 2.31 2.31 3.12 8 8 8 8 8 8 2 2 9 10 11 12 9 12 10 11 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 154 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07200000400000000000000000000000000000000003C4000000000000000018000001C02000000000D0AC116243C8092081000A0013467440082802031072008D8203866980820E2C19391C42008608000C8C8071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloro-2-cyclohexyl-pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloro-2-cyclohexylpyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloro-2-cyclohexylpyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloro-2-cyclohexylpyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloranyl-2-cyclohexyl-pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-chloro-2-cyclohexyl-pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H14ClN/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NYQAXJDLBFDMAY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 195.0814771 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H14ClN Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 195.69 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)C2=C(C=CC=N2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)C2=C(C=CC=N2)Cl 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 2021.10.14 195.0814771 13 0 0 0 0 0 0 0 1 -1