15965 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 17 17 8 8 7 7 6 6 6 6 6 6 1 1 1 1 2 3 4 4 5 6 6 7 7 7 8 8 9 10 11 9 11 12 13 16 13 10 12 8 14 15 9 11 10 13 12 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.866 6.3301 6.3301 2.866 2 4.5981 4.5981 4.5981 3.732 3.732 5.4641 5.4641 2.866 5.135 4.0611 2.3291 1 1 -1 -2 -0.5 -1 2 1 0.5 -0.5 0.5 -0.5 -1 2.31 2.31 -2.31 8 8 8 8 8 8 6 6 8 8 9 11 10 12 9 11 10 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 216 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371006330000600000000000000000000000000000000002C0000000000000000018000000E0210080000080A01962000C892481200A80104F04C04828020270420009A61A04ED80A2672C1D6F1C4750864C001D8DD07BC48000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-3,5,6-trichloro-pyridine-2-carboxylic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-3,5,6-trichloropyridine-2-carboxylic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-3,5,6-trichloropyridine-2-carboxylic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-azanyl-3,5,6-tris(chloranyl)pyridine-2-carboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-amino-3,5,6-trichloro-picolinic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NQQVFXUMIDALNH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 239.926010 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H3Cl3N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 239.926010 13 0 0 0 0 0 0 0 1 -1