73022 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 6 6 7 7 8 9 9 9 11 11 11 10 11 10 4 5 6 9 7 10 8 12 8 13 14 15 16 17 18 19 20 1 1 2 1 2 2 1 1 1 1 1 2 1 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 2.866 3.732 5.4641 6.3301 4.5981 6.3301 4.5981 5.4641 7.1962 3.732 2 6.8671 4.0611 5.4641 6.8862 7.7331 7.5062 1.69 1.4631 2.31 0 -1.5 -0.5 0 0 1 1 1.5 -0.5 -0.5 -0.5 1.31 1.31 2.12 -1.0369 -0.81 0.0369 0.0369 -0.81 -1.0369 8 8 8 8 8 8 3 3 4 5 6 7 4 5 6 7 8 8 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 147 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 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 00000371C07230000000000000000000000000000000000000002C0000000000000000018000001E00000000000808819602328892081400A80124F24C04828020270220089821B06CD80A26F2C0B5B985310864C001D8E98798C8208000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 6-methylpyridine-2-carboxylate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 6-methyl-2-pyridinecarboxylic acid methyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 6-methylpyridine-2-carboxylate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 methyl 6-methylpyridine-2-carboxylate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 6-methylpicolinic acid methyl ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H9NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h3-5H,1-2H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CYWIZMOZBTXFIL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 151.063329 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H9NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 151.16256 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=CC=CC(=N1)C(=O)OC SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=CC=CC(=N1)C(=O)OC Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 39.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 151.063329 11 0 0 0 0 0 0 0 1 1