4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

C77H51Cl10F14N17O12S — CID 158230752

About 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 158230752) has the molecular formula C77H51Cl10F14N17O12S and a molecular weight of 2058.93 g/mol. Its IUPAC name is 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• PubChem CID: 158230752
• Molecular Formula: C77H51Cl10F14N17O12S
• Molecular Weight: 2058.93 g/mol
• Exact Mass: 2053.03
• IUPAC Name: 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(Cl)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)nc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2Cl)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2SC)c(F)c(N)c1Cl.COC(=O)c1nc(-c2cccnc2)c(F)c(N)c1Cl.Cc1c(-c2ccc(C(F)(F)F)nc2)nc(C(=O)O)c(Cl)c1N
• InChI: InChI=1S/C14H10Cl2F2N2O2S.C13H7Cl3F2N2O2.C13H8Cl2F3N3O2.C13H9ClF3N3O2.C12H8ClF3N4O2.C12H9ClFN3O2/c1-22-14(21)12-7(16)10(19)9(18)11(20-12)5-3-4-6(15)8(17)13(5)23-2;1-22-13(21)12-7(16)10(19)9(18)11(20-12)4-2-3-5(14)8(17)6(4)15;1-23-12(22)11-8(15)9(19)7(14)10(21-11)5-2-3-6(20-4-5)13(16,17)18;1-5-9(18)8(14)11(12(21)22)20-10(5)6-2-3-7(19-4-6)13(15,16)17;1-22-11(21)8-7(13)9(17)20-10(19-8)5-2-3-6(18-4-5)12(14,15)16;1-19-12(18)11-7(13)9(15)8(14)10(17-11)6-3-2-4-16-5-6/h3-4H,1-2H3,(H2,19,20);2-3H,1H3,(H2,19,20);2-4H,1H3,(H2,19,21);2-4H,1H3,(H2,18,20)(H,21,22);2-4H,1H3,(H2,17,19,20);2-5H,1H3,(H2,15,17)
• InChIKey: GEIVMPXVHXKCKP-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 466.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.93
LogP ≤ 5	20.91
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': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 158230752) is 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(Cl)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)nc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2Cl)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2SC)c(F)c(N)c1Cl.COC(=O)c1nc(-c2cccnc2)c(F)c(N)c1Cl.Cc1c(-c2ccc(C(F)(F)F)nc2)nc(C(=O)O)c(Cl)c1N.

What is the InChIKey of 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The InChIKey is GEIVMPXVHXKCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O2S.C13H7Cl3F2N2O2.C13H8Cl2F3N3O2.C13H9ClF3N3O2.C12H8ClF3N4O2.C12H9ClFN3O2/c1-22-14(21)12-7(16)10(19)9(18)11(20-12)5-3-4-6(15)8(17)13(5)23-2;1-22-13(21)12-7(16)10(19)9(18)11(20-12)4-2-3-5(14)8(17)6(4)15;1-23-12(22)11-8(15)9(19)7(14)10(21-11)5-2-3-6(20-4-5)13(16,17)18;1-5-9(18)8(14)11(12(21)22)20-10(5)6-2-3-7(19-4-6)13(15,16)17;1-22-11(21)8-7(13)9(17)20-10(19-8)5-2-3-6(18-4-5)12(14,15)16;1-19-12(18)11-7(13)9(15)8(14)10(17-11)6-3-2-4-16-5-6/h3-4H,1-2H3,(H2,19,20);2-3H,1H3,(H2,19,20);2-4H,1H3,(H2,19,21);2-4H,1H3,(H2,18,20)(H,21,22);2-4H,1H3,(H2,17,19,20);2-5H,1H3,(H2,15,17).

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

4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 2058.93 g/mol, XLogP of 20.91, 13 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-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylsulfanylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,4-dichloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-pyridin-3-ylpyridine-2-carboxylate;methyl 6-amino-5-chloro-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylate;methyl 4-amino-3,5-dichloro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 158230752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).