3543650 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 17 8 8 8 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 2 2 3 4 5 5 5 6 6 7 7 7 8 8 9 11 11 12 12 12 13 13 13 14 14 16 16 18 18 19 17 9 15 10 15 10 14 24 17 19 8 9 10 11 12 13 15 20 21 22 23 25 26 27 16 17 18 28 19 29 30 1 1 1 2 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 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 28 29 30 6.3301 4.5981 2.866 3.732 4.5981 5.4641 3.732 2.866 4.5981 3.732 2.866 2 5.4641 4.5981 3.732 3.732 5.4641 3.732 4.5981 2.3291 2.31 1.4631 1.69 5.135 5.7741 6.001 5.1541 3.1951 3.1951 4.5981 1.75 -2.25 0.75 -3.75 0.75 3.25 -0.75 -1.25 -1.25 0.25 -2.25 -0.75 -0.75 1.75 -2.75 2.25 2.25 3.25 3.75 -2.56 -0.2131 -0.44 -1.2869 0.44 -1.2869 -0.44 -0.2131 1.94 3.56 4.37 8 8 8 8 8 8 8 8 8 8 8 8 2 2 6 6 7 7 8 11 14 14 16 18 9 15 17 19 8 9 11 15 16 17 18 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 471 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07330000400000000000000000000000000000000002C4000000000000000018000001E02100000000C0EC192243EC892C81400A80235F75C0082882031362008D8213876D80864F2C1B391D63008609400C8E9061000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-chloro-3-pyridyl)-2,4-dimethyl-6-oxo-pyran-3-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxo-3-pyrancarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-chloropyridin-3-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-chloropyridin-3-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-chloranylpyridin-3-yl)-2,4-dimethyl-6-oxidanylidene-pyran-3-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-chloro-3-pyridyl)-6-keto-2,4-dimethyl-pyran-3-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H11ClN2O3/c1-7-6-10(17)19-8(2)11(7)13(18)16-9-4-3-5-15-12(9)14/h3-6H,1-2H3,(H,16,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NIDVKUJKFJBJJD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.0458199 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H11ClN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.69 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)OC(=C1C(=O)NC2=C(N=CC=C2)Cl)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)OC(=C1C(=O)NC2=C(N=CC=C2)Cl)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 68.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.0458199 19 0 0 0 0 0 0 0 1 -1