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

C78H47Br2Cl5F15IN14O14 — CID 158760112

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

4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 158760112) has the molecular formula C78H47Br2Cl5F15IN14O14 and a molecular weight of 2153.26 g/mol. Its IUPAC name is 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
• PubChem CID: 158760112
• Molecular Formula: C78H47Br2Cl5F15IN14O14
• Molecular Weight: 2153.26 g/mol
• Exact Mass: 2147.90
• IUPAC Name: 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
• SMILES: C#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F.COC(=O)c1nc(-c2cc(F)c(C(F)(F)F)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Br)c(F)c2)c(Cl)c(N)c1Cl.COc1c(N)nc(-c2ccc(C(F)(F)F)c(F)c2F)nc1C(=O)O.COc1c(N)nc(-c2ccc(I)cc2F)nc1C(=O)O.Nc1cc(-c2ccc(Br)cc2F)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C14H8ClF5N2O2.C14H7ClF2N2O2.C13H8BrCl2FN2O2.C13H8F5N3O3.C12H7BrClFN2O2.C12H9FIN3O3/c1-24-13(23)12-11(15)9(21)4-10(22-12)5-2-8(17)6(3-7(5)16)14(18,19)20;1-2-6-3-4-7(5-8(6)16)12-10(17)11(18)9(15)13(19-12)14(20)21;1-21-13(20)12-9(16)10(18)8(15)11(19-12)5-2-3-6(14)7(17)4-5;1-24-9-8(12(22)23)20-11(21-10(9)19)4-2-3-5(13(16,17)18)7(15)6(4)14;13-5-1-2-6(7(15)3-5)9-4-8(16)10(14)11(17-9)12(18)19;1-20-9-8(12(18)19)16-11(17-10(9)15)6-3-2-5(14)4-7(6)13/h2-4H,1H3,(H2,21,22);1,3-5H,(H2,18,19)(H,20,21);2-4H,1H3,(H2,18,19);2-3H,1H3,(H,22,23)(H2,19,20,21);1-4H,(H2,16,17)(H,18,19);2-4H,1H3,(H,18,19)(H2,15,16,17)
• InChIKey: IOOFBWOPVKPQCP-UHFFFAOYSA-N
• XLogP: 19.83
• TPSA: 479.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2153.26
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 158760112) is 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is C#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1F.COC(=O)c1nc(-c2cc(F)c(C(F)(F)F)cc2F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Br)c(F)c2)c(Cl)c(N)c1Cl.COc1c(N)nc(-c2ccc(C(F)(F)F)c(F)c2F)nc1C(=O)O.COc1c(N)nc(-c2ccc(I)cc2F)nc1C(=O)O.Nc1cc(-c2ccc(Br)cc2F)nc(C(=O)O)c1Cl.

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

The InChIKey is IOOFBWOPVKPQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5N2O2.C14H7ClF2N2O2.C13H8BrCl2FN2O2.C13H8F5N3O3.C12H7BrClFN2O2.C12H9FIN3O3/c1-24-13(23)12-11(15)9(21)4-10(22-12)5-2-8(17)6(3-7(5)16)14(18,19)20;1-2-6-3-4-7(5-8(6)16)12-10(17)11(18)9(15)13(19-12)14(20)21;1-21-13(20)12-9(16)10(18)8(15)11(19-12)5-2-3-6(14)7(17)4-5;1-24-9-8(12(22)23)20-11(21-10(9)19)4-2-3-5(13(16,17)18)7(15)6(4)14;13-5-1-2-6(7(15)3-5)9-4-8(16)10(14)11(17-9)12(18)19;1-20-9-8(12(18)19)16-11(17-10(9)15)6-3-2-5(14)4-7(6)13/h2-4H,1H3,(H2,21,22);1,3-5H,(H2,18,19)(H,20,21);2-4H,1H3,(H2,18,19);2-3H,1H3,(H,22,23)(H2,19,20,21);1-4H,(H2,16,17)(H,18,19);2-4H,1H3,(H,18,19)(H2,15,16,17).

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

4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 2153.26 g/mol, XLogP of 19.83, 14 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-fluoropyridine-2-carboxylic acid;6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylic acid;6-amino-2-(2-fluoro-4-iodophenyl)-5-methoxypyrimidine-4-carboxylic acid;methyl 4-amino-6-(4-bromo-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 158760112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).