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

C79H52Cl13F12N15O13 — CID 157086204

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

4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate (PubChem CID 157086204) has the molecular formula C79H52Cl13F12N15O13 and a molecular weight of 2108.24 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
• PubChem CID: 157086204
• Molecular Formula: C79H52Cl13F12N15O13
• Molecular Weight: 2108.24 g/mol
• Exact Mass: 2100.96
• IUPAC Name: 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2OC)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C)nc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2C)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2Cl)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)nc2F)c(F)c(N)c1Cl.Nc1cc(-c2ccc(Cl)c(F)c2C(F)F)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C14H11Cl3N2O2.C14H10ClF4N3O3.C13H7Cl4FN2O2.C13H7Cl2F3N2O2.C13H10ClF2N3O2.C12H7Cl2F2N3O2/c1-6-7(3-4-8(15)11(6)16)10-5-9(18)12(17)13(19-10)14(20)21-2;1-24-12-5(3-4-6(21-12)14(17,18)19)10-8(16)9(20)7(15)11(22-10)13(23)25-2;1-22-13(21)12-8(17)10(19)9(18)11(20-12)4-2-3-5(14)7(16)6(4)15;14-5-2-1-4(8(10(5)16)12(17)18)7-3-6(19)9(15)11(20-7)13(21)22;1-5-3-4-6(12(16)18-5)10-8(15)9(17)7(14)11(19-10)13(20)21-2;1-21-12(20)10-6(14)8(17)7(15)9(19-10)4-2-3-5(13)18-11(4)16/h3-5H,1-2H3,(H2,18,19);3-4H,1-2H3,(H2,20,22);2-3H,1H3,(H2,19,20);1-3,12H,(H2,19,20)(H,21,22);3-4H,1-2H3,(H2,17,19);2-3H,1H3,(H2,17,19)
• InChIKey: AECQMRJGVJIPNC-UHFFFAOYSA-N
• XLogP: 22.85
• TPSA: 450.16 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.24
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

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

The IUPAC name of 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate (CID 157086204) is 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2OC)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C)nc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2C)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2Cl)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)nc2F)c(F)c(N)c1Cl.Nc1cc(-c2ccc(Cl)c(F)c2C(F)F)nc(C(=O)O)c1Cl.

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

The InChIKey is AECQMRJGVJIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2.C14H10ClF4N3O3.C13H7Cl4FN2O2.C13H7Cl2F3N2O2.C13H10ClF2N3O2.C12H7Cl2F2N3O2/c1-6-7(3-4-8(15)11(6)16)10-5-9(18)12(17)13(19-10)14(20)21-2;1-24-12-5(3-4-6(21-12)14(17,18)19)10-8(16)9(20)7(15)11(22-10)13(23)25-2;1-22-13(21)12-8(17)10(19)9(18)11(20-12)4-2-3-5(14)7(16)6(4)15;14-5-2-1-4(8(10(5)16)12(17)18)7-3-6(19)9(15)11(20-7)13(21)22;1-5-3-4-6(12(16)18-5)10-8(15)9(17)7(14)11(19-10)13(20)21-2;1-21-12(20)10-6(14)8(17)7(15)9(19-10)4-2-3-5(13)18-11(4)16/h3-5H,1-2H3,(H2,18,19);3-4H,1-2H3,(H2,20,22);2-3H,1H3,(H2,19,20);1-3,12H,(H2,19,20)(H,21,22);3-4H,1-2H3,(H2,17,19);2-3H,1H3,(H2,17,19).

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

4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate has a molecular weight of 2108.24 g/mol, XLogP of 22.85, 14 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(6-chloro-2-fluoro-3-pyridinyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-6-methyl-3-pyridinyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 157086204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).