3075702 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 17 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 12 12 13 8 9 5 7 19 11 13 6 8 14 7 15 16 17 18 20 21 10 11 12 22 23 13 24 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 5 3 8 6 14 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 2 5.4641 7.455 3.732 7.1962 8.1621 8.4209 6.3301 4.5981 3.732 4.5981 2.866 2.866 6.7043 8.0016 8.761 9.0198 8.5814 7.145 5.9316 6.7287 3.732 5.135 2.3291 -1.7514 0.2486 1.2145 -1.7514 0.2486 -0.0102 0.9557 -0.2514 -0.2514 0.2486 -1.2514 -0.2514 -1.2514 0.626 -0.6091 -0.1707 0.7952 1.5546 1.7514 -0.7264 -0.7264 0.8686 -1.5614 0.0586 8 8 6 8 8 8 8 4 4 5 9 9 10 12 11 13 8 10 11 12 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 168 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07320000400000000000000000000005800000000002C0000000000000000018000001E0210000000082EE192263C8692C81400A0003067440482882031672008D8A03F6E980E26E2C5B39B873828E4D011D8E8063000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[(2R)-2-azetidinyl]methoxy]-2-chloropyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[(2<I>R</I>)-azetidin-2-yl]methoxy]-2-chloropyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloranyl-pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloro-pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MKTAGSRKQIGEBH-SSDOTTSWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 198.0559907 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H11ClN2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 198.65 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CNC1COC2=CN=C(C=C2)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN[C@H]1COC2=CN=C(C=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 198.0559907 13 1 1 0 0 0 0 0 1 -1