4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate

C84H58BrCl4F13I2N14O12 — CID 160672616

About 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate

4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate (PubChem CID 160672616) has the molecular formula C84H58BrCl4F13I2N14O12 and a molecular weight of 2177.97 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate
• PubChem CID: 160672616
• Molecular Formula: C84H58BrCl4F13I2N14O12
• Molecular Weight: 2177.97 g/mol
• Exact Mass: 2174.02
• IUPAC Name: 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate
• SMILES: C=Cc1c(C(=O)OC)nc(-c2ccc(I)cc2)c(F)c1N.C=Cc1c(N)nc(-c2ccc(C(F)(F)F)c(F)c2)nc1C(=O)OC.COC(=O)c1nc(-c2ccc(Br)cc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C#N)c(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(I)cc2)c(C)c(N)c1Cl.Nc1c(F)c(-c2ccc(C(F)(F)F)c(F)c2)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C15H11F4N3O2.C15H12FIN2O2.C14H8ClF2N3O2.C14H12ClIN2O2.C13H9BrClFN2O2.C13H6ClF5N2O2/c1-3-8-11(14(23)24-2)21-13(22-12(8)20)7-4-5-9(10(16)6-7)15(17,18)19;1-3-10-12(18)11(16)13(19-14(10)15(20)21-2)8-4-6-9(17)7-5-8;1-22-14(21)13-9(15)11(19)10(17)12(20-13)6-2-3-7(5-18)8(16)4-6;1-7-11(17)10(15)13(14(19)20-2)18-12(7)8-3-5-9(16)6-4-8;1-20-13(19)12-8(15)10(17)9(16)11(18-12)6-2-4-7(14)5-3-6;14-7-9(20)8(16)10(21-11(7)12(22)23)4-1-2-5(6(15)3-4)13(17,18)19/h3-6H,1H2,2H3,(H2,20,21,22);3-7H,1H2,2H3,(H2,18,19);2-4H,1H3,(H2,19,20);3-6H,1-2H3,(H2,17,18);2-5H,1H3,(H2,17,18);1-3H,(H2,20,21)(H,22,23)
• InChIKey: RNCWZGGTVSIAIE-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 438.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2177.97
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate?

The IUPAC name of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate (CID 160672616) is 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate.

What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate?

The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate is C=Cc1c(C(=O)OC)nc(-c2ccc(I)cc2)c(F)c1N.C=Cc1c(N)nc(-c2ccc(C(F)(F)F)c(F)c2)nc1C(=O)OC.COC(=O)c1nc(-c2ccc(Br)cc2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C#N)c(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(I)cc2)c(C)c(N)c1Cl.Nc1c(F)c(-c2ccc(C(F)(F)F)c(F)c2)nc(C(=O)O)c1Cl.

What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate?

The InChIKey is RNCWZGGTVSIAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O2.C15H12FIN2O2.C14H8ClF2N3O2.C14H12ClIN2O2.C13H9BrClFN2O2.C13H6ClF5N2O2/c1-3-8-11(14(23)24-2)21-13(22-12(8)20)7-4-5-9(10(16)6-7)15(17,18)19;1-3-10-12(18)11(16)13(19-14(10)15(20)21-2)8-4-6-9(17)7-5-8;1-22-14(21)13-9(15)11(19)10(17)12(20-13)6-2-3-7(5-18)8(16)4-6;1-7-11(17)10(15)13(14(19)20-2)18-12(7)8-3-5-9(16)6-4-8;1-20-13(19)12-8(15)10(17)9(16)11(18-12)6-2-4-7(14)5-3-6;14-7-9(20)8(16)10(21-11(7)12(22)23)4-1-2-5(6(15)3-4)13(17,18)19/h3-6H,1H2,2H3,(H2,20,21,22);3-7H,1H2,2H3,(H2,18,19);2-4H,1H3,(H2,19,20);3-6H,1-2H3,(H2,17,18);2-5H,1H3,(H2,17,18);1-3H,(H2,20,21)(H,22,23).

What are the key properties of 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate?

4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate has a molecular weight of 2177.97 g/mol, XLogP of 21.07, 14 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-6-(4-bromophenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-cyano-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)-5-methylpyridine-2-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-5-ethenyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 160672616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).