4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate

C80H50Cl5F12I3N14O13 — CID 159243801

About 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate

4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate (PubChem CID 159243801) has the molecular formula C80H50Cl5F12I3N14O13 and a molecular weight of 2201.32 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate
• PubChem CID: 159243801
• Molecular Formula: C80H50Cl5F12I3N14O13
• Molecular Weight: 2201.32 g/mol
• Exact Mass: 2197.91
• IUPAC Name: 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate
• SMILES: C#Cc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cc1F.COC(=O)c1nc(-c2ccc(C#N)cc2)nc(N)c1OC.COC(=O)c1nc(-c2ccc(I)c(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(I)c(F)c2F)cc(N)c1Cl.Nc1cc(-c2cc(F)c(I)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(C(F)(F)F)c(F)c2)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C15H9ClF2N2O2.C14H12N4O3.C13H7ClF4N2O2.2C13H8ClF2IN2O2.C12H6ClF2IN2O2/c1-3-7-4-5-8(6-9(7)17)13-11(18)12(19)10(16)14(20-13)15(21)22-2;1-20-11-10(14(19)21-2)17-13(18-12(11)16)9-5-3-8(7-15)4-6-9;14-10-8(19)4-9(20-11(10)12(21)22)5-1-2-6(7(15)3-5)13(16,17)18;1-21-13(20)12-9(14)7(18)4-8(19-12)5-2-3-6(17)11(16)10(5)15;1-21-13(20)12-8(14)10(18)9(16)11(19-12)5-2-3-7(17)6(15)4-5;13-10-8(17)3-9(18-11(10)12(19)20)4-1-6(15)7(16)2-5(4)14/h1,4-6H,2H3,(H2,19,20);3-6H,1-2H3,(H2,16,17,18);1-4H,(H2,19,20)(H,21,22);2*2-4H,1H3,(H2,18,19);1-3H,(H2,17,18)(H,19,20)
• InChIKey: KUKRKBIDBSELGU-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 459.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2201.32
LogP ≤ 5	19.14
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_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate?

The IUPAC name of 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate (CID 159243801) is 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate.

What is the SMILES notation for 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate?

The canonical SMILES for 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate is C#Cc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cc1F.COC(=O)c1nc(-c2ccc(C#N)cc2)nc(N)c1OC.COC(=O)c1nc(-c2ccc(I)c(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(I)c(F)c2F)cc(N)c1Cl.Nc1cc(-c2cc(F)c(I)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(C(F)(F)F)c(F)c2)nc(C(=O)O)c1Cl.

What is the InChIKey of 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate?

The InChIKey is KUKRKBIDBSELGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2.C14H12N4O3.C13H7ClF4N2O2.2C13H8ClF2IN2O2.C12H6ClF2IN2O2/c1-3-7-4-5-8(6-9(7)17)13-11(18)12(19)10(16)14(20-13)15(21)22-2;1-20-11-10(14(19)21-2)17-13(18-12(11)16)9-5-3-8(7-15)4-6-9;14-10-8(19)4-9(20-11(10)12(21)22)5-1-2-6(7(15)3-5)13(16,17)18;1-21-13(20)12-9(14)7(18)4-8(19-12)5-2-3-6(17)11(16)10(5)15;1-21-13(20)12-8(14)10(18)9(16)11(19-12)5-2-3-7(17)6(15)4-5;13-10-8(17)3-9(18-11(10)12(19)20)4-1-6(15)7(16)2-5(4)14/h1,4-6H,2H3,(H2,19,20);3-6H,1-2H3,(H2,16,17,18);1-4H,(H2,19,20)(H,21,22);2*2-4H,1H3,(H2,18,19);1-3H,(H2,17,18)(H,19,20).

What are the key properties of 4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate?

4-amino-3-chloro-6-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate has a molecular weight of 2201.32 g/mol, XLogP of 19.14, 13 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-(2,5-difluoro-4-iodophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 6-amino-2-(4-cyanophenyl)-5-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 159243801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).