4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate

C78H49BrCl14F9N13O12 — CID 162177377

About 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate

4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 162177377) has the molecular formula C78H49BrCl14F9N13O12 and a molecular weight of 2107.56 g/mol. Its IUPAC name is 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
• PubChem CID: 162177377
• Molecular Formula: C78H49BrCl14F9N13O12
• Molecular Weight: 2107.56 g/mol
• Exact Mass: 2098.83
• IUPAC Name: 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2C)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2Cl)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2C)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2Cl)cc(N)c1Cl.Nc1c(F)c(-c2ccc(Br)nc2)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Cl)c(F)c2Cl)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C15H10ClF5N2O2.C14H11Cl2FN2O2.C13H8Cl4N2O2.C13H8Cl3FN2O2.C12H6Cl3FN2O2.C11H6BrClFN3O2/c1-5-6(3-4-7(9(5)17)15(19,20)21)12-10(18)11(22)8(16)13(23-12)14(24)25-2;1-6-7(3-4-8(15)12(6)17)10-5-9(18)11(16)13(19-10)14(20)21-2;1-21-13(20)12-11(17)7(18)4-8(19-12)5-2-3-6(14)10(16)9(5)15;1-21-13(20)12-10(16)7(18)4-8(19-12)5-2-3-6(14)11(17)9(5)15;13-5-2-1-4(8(14)10(5)16)7-3-6(17)9(15)11(18-7)12(19)20;12-5-2-1-4(3-16-5)9-7(14)8(15)6(13)10(17-9)11(18)19/h3-4H,1-2H3,(H2,22,23);3-5H,1-2H3,(H2,18,19);2*2-4H,1H3,(H2,18,19);1-3H,(H2,17,18)(H,19,20);1-3H,(H2,15,17)(H,18,19)
• InChIKey: ZOOHZEZCVLISBH-UHFFFAOYSA-N
• XLogP: 24.30
• TPSA: 426.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.56
LogP ≤ 5	24.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

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'}

Frequently Asked Questions

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

The IUPAC name of 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate (CID 162177377) is 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2C)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2Cl)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2C)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2Cl)cc(N)c1Cl.Nc1c(F)c(-c2ccc(Br)nc2)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Cl)c(F)c2Cl)nc(C(=O)O)c1Cl.

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

The InChIKey is ZOOHZEZCVLISBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF5N2O2.C14H11Cl2FN2O2.C13H8Cl4N2O2.C13H8Cl3FN2O2.C12H6Cl3FN2O2.C11H6BrClFN3O2/c1-5-6(3-4-7(9(5)17)15(19,20)21)12-10(18)11(22)8(16)13(23-12)14(24)25-2;1-6-7(3-4-8(15)12(6)17)10-5-9(18)11(16)13(19-10)14(20)21-2;1-21-13(20)12-11(17)7(18)4-8(19-12)5-2-3-6(14)10(16)9(5)15;1-21-13(20)12-10(16)7(18)4-8(19-12)5-2-3-6(14)11(17)9(5)15;13-5-2-1-4(8(14)10(5)16)7-3-6(17)9(15)11(18-7)12(19)20;12-5-2-1-4(3-16-5)9-7(14)8(15)6(13)10(17-9)11(18)19/h3-4H,1-2H3,(H2,22,23);3-5H,1-2H3,(H2,18,19);2*2-4H,1H3,(H2,18,19);1-3H,(H2,17,18)(H,19,20);1-3H,(H2,15,17)(H,18,19).

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

4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate has a molecular weight of 2107.56 g/mol, XLogP of 24.30, 12 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-(6-bromo-3-pyridinyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 162177377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).