15553 1 2 3 4 5 6 7 8 9 10 11 12 13 14 17 17 8 8 7 6 6 6 6 6 6 1 1 1 1 2 3 3 4 5 5 6 6 7 8 8 9 9 7 10 11 14 11 6 10 7 11 8 9 12 10 13 1 1 1 1 2 1 2 2 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2.866 6.3301 2.866 2 4.5981 3.732 3.732 4.5981 5.4641 5.4641 2.866 4.5981 6.001 2.3291 1.655 -0.345 -1.345 0.155 -0.345 0.155 1.155 1.655 1.155 0.155 -0.345 2.275 1.465 -1.655 8 8 8 8 8 8 5 5 6 7 8 9 6 10 7 8 9 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 165 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371006230000600000000000000000000000000000000002C0000000000000000018000001E0200080000080A819620308892081200A80124F24C04828020270720089821B06ED80A26F2C196B1C4710864C001D8DD079848000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dichloropyridine-2-carboxylic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dichloro-2-pyridinecarboxylic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dichloropyridine-2-carboxylic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dichloropyridine-2-carboxylic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-bis(chloranyl)pyridine-2-carboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,6-dichloropicolinic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HUBANNPOLNYSAD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.9540837 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H3Cl2NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.00 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=NC(=C1Cl)C(=O)O)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=NC(=C1Cl)C(=O)O)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 50.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 190.9540837 11 0 0 0 0 0 0 0 1 -1