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

C80H54Cl5F18N13O14 — CID 159529771

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

4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate (PubChem CID 159529771) has the molecular formula C80H54Cl5F18N13O14 and a molecular weight of 1940.62 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate
• PubChem CID: 159529771
• Molecular Formula: C80H54Cl5F18N13O14
• Molecular Weight: 1940.62 g/mol
• Exact Mass: 1937.21
• IUPAC Name: 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate
• SMILES: COC(=O)c1nc(-c2cc(F)c(C)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2cc(F)c(C)cc2F)nc(N)c1OC.COC(=O)c1nc(-c2cc(F)ccc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(F)c(F)c2F)c(F)c(N)c1Cl.Cc1cc(F)c(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1F.Nc1cc(-c2cc(F)c(OC(F)F)cc2F)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C14H10ClF3N2O2.C14H13F2N3O3.C13H7ClF4N2O3.C13H7ClF4N2O2.C13H8ClF3N2O2.C13H9ClF2N2O2/c1-5-3-8(17)6(4-7(5)16)12-10(18)11(19)9(15)13(20-12)14(21)22-2;1-6-4-9(16)7(5-8(6)15)13-18-10(14(20)22-3)11(21-2)12(17)19-13;14-10-7(19)3-8(20-11(10)12(21)22)4-1-6(16)9(2-5(4)15)23-13(17)18;1-22-13(21)12-6(14)10(19)9(18)11(20-12)4-2-3-5(15)8(17)7(4)16;1-21-13(20)12-8(14)10(18)9(17)11(19-12)6-4-5(15)2-3-7(6)16;1-5-2-8(16)6(3-7(5)15)10-4-9(17)11(14)12(18-10)13(19)20/h3-4H,1-2H3,(H2,19,20);4-5H,1-3H3,(H2,17,18,19);1-3,13H,(H2,19,20)(H,21,22);2-3H,1H3,(H2,19,20);2-4H,1H3,(H2,18,19);2-4H,1H3,(H2,17,18)(H,19,20)
• InChIKey: MCVNUJFFMJNNAO-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 444.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1940.62
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate?

The IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate (CID 159529771) is 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate.

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

The canonical SMILES for 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate is COC(=O)c1nc(-c2cc(F)c(C)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2cc(F)c(C)cc2F)nc(N)c1OC.COC(=O)c1nc(-c2cc(F)ccc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(F)c(F)c2F)c(F)c(N)c1Cl.Cc1cc(F)c(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1F.Nc1cc(-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]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate?

The InChIKey is MCVNUJFFMJNNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2.C14H13F2N3O3.C13H7ClF4N2O3.C13H7ClF4N2O2.C13H8ClF3N2O2.C13H9ClF2N2O2/c1-5-3-8(17)6(4-7(5)16)12-10(18)11(19)9(15)13(20-12)14(21)22-2;1-6-4-9(16)7(5-8(6)15)13-18-10(14(20)22-3)11(21-2)12(17)19-13;14-10-7(19)3-8(20-11(10)12(21)22)4-1-6(16)9(2-5(4)15)23-13(17)18;1-22-13(21)12-6(14)10(19)9(18)11(20-12)4-2-3-5(15)8(17)7(4)16;1-21-13(20)12-8(14)10(18)9(17)11(19-12)6-4-5(15)2-3-7(6)16;1-5-2-8(16)6(3-7(5)15)10-4-9(17)11(14)12(18-10)13(19)20/h3-4H,1-2H3,(H2,19,20);4-5H,1-3H3,(H2,17,18,19);1-3,13H,(H2,19,20)(H,21,22);2-3H,1H3,(H2,19,20);2-4H,1H3,(H2,18,19);2-4H,1H3,(H2,17,18)(H,19,20).

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

4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate has a molecular weight of 1940.62 g/mol, XLogP of 18.95, 15 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(2,3,4-trifluorophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(2,5-difluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 159529771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).