4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate

C82H56Cl4F17N15O17 — CID 161065668

About 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate

4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate (PubChem CID 161065668) has the molecular formula C82H56Cl4F17N15O17 and a molecular weight of 1988.22 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate
• PubChem CID: 161065668
• Molecular Formula: C82H56Cl4F17N15O17
• Molecular Weight: 1988.22 g/mol
• Exact Mass: 1985.25
• IUPAC Name: 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate
• SMILES: C=Cc1c(N)nc(-c2ccc(F)c(F)c2F)nc1C(=O)O.COC(=O)c1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cc1.COC(=O)c1nc(-c2cc(F)c(C(F)F)cc2F)nc(N)c1OC.COC(=O)c1nc(-c2ccc(C(N)=O)cc2)c(F)c(N)c1Cl.Cc1cc(F)c(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F.Nc1c(F)c(-c2cc(F)c(OC(F)F)cc2F)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C15H12ClFN2O4.C14H11ClFN3O3.C14H11F4N3O3.C13H6ClF5N2O3.C13H8ClF3N2O2.C13H8F3N3O2/c1-22-14(20)8-5-3-7(4-6-8)12-10(17)11(18)9(16)13(19-12)15(21)23-2;1-22-14(21)12-8(15)10(17)9(16)11(19-12)6-2-4-7(5-3-6)13(18)20;1-23-10-9(14(22)24-2)20-13(21-12(10)19)6-4-7(15)5(11(17)18)3-8(6)16;14-7-9(20)8(17)10(21-11(7)12(22)23)3-1-5(16)6(2-4(3)15)24-13(18)19;1-4-2-7(16)5(3-6(4)15)11-9(17)10(18)8(14)12(19-11)13(20)21;1-2-5-10(13(20)21)18-12(19-11(5)17)6-3-4-7(14)9(16)8(6)15/h3-6H,1-2H3,(H2,18,19);2-5H,1H3,(H2,17,19)(H2,18,20);3-4,11H,1-2H3,(H2,19,20,21);1-2,13H,(H2,20,21)(H,22,23);2-3H,1H3,(H2,18,19)(H,20,21);2-4H,1H2,(H,20,21)(H2,17,18,19)
• InChIKey: UDZJEQVRTVICJV-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 537.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1988.22
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

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-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate?

The IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate (CID 161065668) is 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate.

What is the SMILES notation for 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate?

The canonical SMILES for 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate is C=Cc1c(N)nc(-c2ccc(F)c(F)c2F)nc1C(=O)O.COC(=O)c1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cc1.COC(=O)c1nc(-c2cc(F)c(C(F)F)cc2F)nc(N)c1OC.COC(=O)c1nc(-c2ccc(C(N)=O)cc2)c(F)c(N)c1Cl.Cc1cc(F)c(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F.Nc1c(F)c(-c2cc(F)c(OC(F)F)cc2F)nc(C(=O)O)c1Cl.

What is the InChIKey of 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate?

The InChIKey is UDZJEQVRTVICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O4.C14H11ClFN3O3.C14H11F4N3O3.C13H6ClF5N2O3.C13H8ClF3N2O2.C13H8F3N3O2/c1-22-14(20)8-5-3-7(4-6-8)12-10(17)11(18)9(16)13(19-12)15(21)23-2;1-22-14(21)12-8(15)10(17)9(16)11(19-12)6-2-4-7(5-3-6)13(18)20;1-23-10-9(14(22)24-2)20-13(21-12(10)19)6-4-7(15)5(11(17)18)3-8(6)16;14-7-9(20)8(17)10(21-11(7)12(22)23)3-1-5(16)6(2-4(3)15)24-13(18)19;1-4-2-7(16)5(3-6(4)15)11-9(17)10(18)8(14)12(19-11)13(20)21;1-2-5-10(13(20)21)18-12(19-11(5)17)6-3-4-7(14)9(16)8(6)15/h3-6H,1-2H3,(H2,18,19);2-5H,1H3,(H2,17,19)(H2,18,20);3-4,11H,1-2H3,(H2,19,20,21);1-2,13H,(H2,20,21)(H,22,23);2-3H,1H3,(H2,18,19)(H,20,21);2-4H,1H2,(H,20,21)(H2,17,18,19).

What are the key properties of 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate?

4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate has a molecular weight of 1988.22 g/mol, XLogP of 17.04, 19 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-5-ethenyl-2-(2,3,4-trifluorophenyl)pyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(4-methoxycarbonylphenyl)pyridine-2-carboxylate;methyl 6-amino-2-[4-(difluoromethyl)-2,5-difluorophenyl]-5-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 161065668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).