4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate

C81H54Cl10F14N16O14 — CID 159078912

About 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate

4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate (PubChem CID 159078912) has the molecular formula C81H54Cl10F14N16O14 and a molecular weight of 2095.92 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate
• PubChem CID: 159078912
• Molecular Formula: C81H54Cl10F14N16O14
• Molecular Weight: 2095.92 g/mol
• Exact Mass: 2090.07
• IUPAC Name: 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate
• SMILES: C#Cc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F.COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2C)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)nc(N)c1OC.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2Cl)nc(N)c1OC.Nc1c(F)c(-c2ccc(Cl)c(Cl)c2Cl)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C15H9Cl2FN2O2.C15H11ClF4N2O2.C13H10Cl2FN3O3.C13H8ClF4N3O2.C13H11F3N4O3.C12H5Cl4FN2O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2;1-6-7(3-4-8(12(6)17)15(18,19)20)10-5-9(21)11(16)13(22-10)14(23)24-2;1-21-10-9(13(20)22-2)18-12(19-11(10)17)5-3-4-6(14)8(16)7(5)15;1-23-12(22)10-9(14)6(19)4-7(20-10)5-2-3-8(13(16,17)18)21-11(5)15;1-22-9-8(12(21)23-2)19-11(20-10(9)17)6-3-4-7(18-5-6)13(14,15)16;13-4-2-1-3(5(14)6(4)15)10-8(17)9(18)7(16)11(19-10)12(20)21/h1,4-6H,2H3,(H2,19,20);3-5H,1-2H3,(H2,21,22);3-4H,1-2H3,(H2,17,18,19);2-4H,1H3,(H2,19,20);3-5H,1-2H3,(H2,17,19,20);1-2H,(H2,18,19)(H,20,21)
• InChIKey: KAPJYZVUBOVVQM-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 472.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2095.92
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate?

The IUPAC name of 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate (CID 159078912) is 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate.

What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate?

The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate is C#Cc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F.COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2C)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)nc(N)c1OC.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2Cl)nc(N)c1OC.Nc1c(F)c(-c2ccc(Cl)c(Cl)c2Cl)nc(C(=O)O)c1Cl.

What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate?

The InChIKey is KAPJYZVUBOVVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O2.C15H11ClF4N2O2.C13H10Cl2FN3O3.C13H8ClF4N3O2.C13H11F3N4O3.C12H5Cl4FN2O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2;1-6-7(3-4-8(12(6)17)15(18,19)20)10-5-9(21)11(16)13(22-10)14(23)24-2;1-21-10-9(13(20)22-2)18-12(19-11(10)17)5-3-4-6(14)8(16)7(5)15;1-23-12(22)10-9(14)6(19)4-7(20-10)5-2-3-8(13(16,17)18)21-11(5)15;1-22-9-8(12(21)23-2)19-11(20-10(9)17)6-3-4-7(18-5-6)13(14,15)16;13-4-2-1-3(5(14)6(4)15)10-8(17)9(18)7(16)11(19-10)12(20)21/h1,4-6H,2H3,(H2,19,20);3-5H,1-2H3,(H2,21,22);3-4H,1-2H3,(H2,17,18,19);2-4H,1H3,(H2,19,20);3-5H,1-2H3,(H2,17,19,20);1-2H,(H2,18,19)(H,20,21).

What are the key properties of 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate?

4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate has a molecular weight of 2095.92 g/mol, XLogP of 20.79, 14 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 6-amino-2-(2,4-dichloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 6-amino-5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 159078912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).