946154 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 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 7 7 7 8 8 10 10 11 11 12 14 14 15 15 17 13 12 16 9 16 8 9 18 13 17 9 10 12 11 13 14 19 15 20 21 16 22 17 23 24 1 1 1 2 2 1 1 1 1 2 1 1 2 1 2 2 1 2 1 1 1 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 2 3.732 5.4641 4.5981 3.732 2.866 4.5981 3.732 4.5981 5.4641 4.5981 3.732 2.866 5.4641 4.5981 4.5981 3.732 3.1951 6.001 5.135 3.1951 6.001 5.135 3.732 -1.75 2.25 -0.75 3.75 -0.75 -3.25 0.75 -1.75 -0.25 1.25 -2.25 1.25 -2.25 2.25 -3.25 2.75 -3.75 -0.44 0.94 -1.94 0.94 2.56 -3.56 -4.37 8 8 8 8 8 8 8 8 8 8 8 8 2 2 6 6 7 7 8 8 10 11 14 15 12 16 13 17 10 12 11 13 14 15 16 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 392 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371807330000400000000000000000000000000000000002C4000000000000000018000001E02100000000C0AE192263CC892C81400A80235F75C0082882031362008D8213876D80864E2C1B391D43008609400C8E9861000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chloro-3-pyridyl)-6-oxo-pyran-3-carboxamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chloro-3-pyridinyl)-6-oxo-3-pyrancarboxamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chloropyridin-3-yl)-6-oxopyran-3-carboxamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chloranylpyridin-3-yl)-6-oxidanylidene-pyran-3-carboxamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chloro-3-pyridyl)-6-keto-pyran-3-carboxamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H7ClN2O3/c12-10-8(2-1-5-13-10)14-11(16)7-3-4-9(15)17-6-7/h1-6H,(H,14,16) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 RXIOWVUHHYLRQF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 250.01452 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H7ClN2O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 250.63788 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=C(N=C1)Cl)NC(=O)C2=COC(=O)C=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=C(N=C1)Cl)NC(=O)C2=COC(=O)C=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 68.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 250.01452 17 0 0 0 0 0 0 0 1 2