4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate

C84H59Cl4F18N15O19 — CID 162068545

About 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate

4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate (PubChem CID 162068545) has the molecular formula C84H59Cl4F18N15O19 and a molecular weight of 2066.26 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate
• PubChem CID: 162068545
• Molecular Formula: C84H59Cl4F18N15O19
• Molecular Weight: 2066.26 g/mol
• Exact Mass: 2063.26
• IUPAC Name: 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(OC(F)F)c(F)c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(OC(F)F)cc2)nc(N)c1OC.COC(=O)c1nc(-c2ccc(OC(F)F)cc2F)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)O.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(OC(F)(F)F)cc2)c1Cl.[C-]#[N+]c1ccc(-c2nc(C(=O)OC)c(C=C)c(N)c2F)cc1
• InChI: InChI=1S/C16H12FN3O2.C14H8ClF5N2O3.C14H9ClF4N2O3.C14H13F2N3O4.C13H7Cl2F3N2O3.C13H10F3N3O4/c1-4-11-13(18)12(17)14(20-15(11)16(21)22-3)9-5-7-10(19-2)8-6-9;1-24-13(23)12-6(15)10(21)9(18)11(22-12)4-2-3-5(25-14(19)20)8(17)7(4)16;1-23-13(22)12-8(15)10(20)9(17)11(21-12)6-3-2-5(4-7(6)16)24-14(18)19;1-21-10-9(13(20)22-2)18-12(19-11(10)17)7-3-5-8(6-4-7)23-14(15)16;14-7-9(19)8(15)11(12(21)22)20-10(7)5-1-3-6(4-2-5)23-13(16,17)18;1-22-9-8(12(20)21)18-11(19-10(9)17)6-2-4-7(5-3-6)23-13(14,15)16/h4-8H,1H2,3H3,(H2,18,20);2-3,14H,1H3,(H2,21,22);2-4,14H,1H3,(H2,20,21);3-6,14H,1-2H3,(H2,17,18,19);1-4H,(H2,19,20)(H,21,22);2-5H,1H3,(H,20,21)(H2,17,18,19)
• InChIKey: ZATRKFYUZZDDDR-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 508.01 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2066.26
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate?

The IUPAC name of 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate (CID 162068545) is 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate.

What is the SMILES notation for 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate?

The canonical SMILES for 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(OC(F)F)c(F)c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(OC(F)F)cc2)nc(N)c1OC.COC(=O)c1nc(-c2ccc(OC(F)F)cc2F)c(F)c(N)c1Cl.COc1c(N)nc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)O.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(OC(F)(F)F)cc2)c1Cl.[C-]#[N+]c1ccc(-c2nc(C(=O)OC)c(C=C)c(N)c2F)cc1.

What is the InChIKey of 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate?

The InChIKey is ZATRKFYUZZDDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2.C14H8ClF5N2O3.C14H9ClF4N2O3.C14H13F2N3O4.C13H7Cl2F3N2O3.C13H10F3N3O4/c1-4-11-13(18)12(17)14(20-15(11)16(21)22-3)9-5-7-10(19-2)8-6-9;1-24-13(23)12-6(15)10(21)9(18)11(22-12)4-2-3-5(25-14(19)20)8(17)7(4)16;1-23-13(22)12-8(15)10(20)9(17)11(21-12)6-3-2-5(4-7(6)16)24-14(18)19;1-21-10-9(13(20)22-2)18-12(19-11(10)17)7-3-5-8(6-4-7)23-14(15)16;14-7-9(19)8(15)11(12(21)22)20-10(7)5-1-3-6(4-2-5)23-13(16,17)18;1-22-9-8(12(20)21)18-11(19-10(9)17)6-2-4-7(5-3-6)23-13(14,15)16/h4-8H,1H2,3H3,(H2,18,20);2-3,14H,1H3,(H2,21,22);2-4,14H,1H3,(H2,20,21);3-6,14H,1-2H3,(H2,17,18,19);1-4H,(H2,19,20)(H,21,22);2-5H,1H3,(H,20,21)(H2,17,18,19).

What are the key properties of 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate?

4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate has a molecular weight of 2066.26 g/mol, XLogP of 19.58, 23 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid;6-amino-5-methoxy-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,3-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethoxy)phenyl]-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-ethenyl-5-fluoro-6-(4-isocyanophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 162068545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).