4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate

C78H52BrCl5F15IN14O14 — CID 159158589

About 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate

4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate (PubChem CID 159158589) has the molecular formula C78H52BrCl5F15IN14O14 and a molecular weight of 2078.40 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate
• PubChem CID: 159158589
• Molecular Formula: C78H52BrCl5F15IN14O14
• Molecular Weight: 2078.40 g/mol
• Exact Mass: 2074.02
• IUPAC Name: 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate
• SMILES: COC(=O)c1nc(-c2cc(F)c(C(F)F)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Br)c(F)c2)nc(N)c1OC.COC(=O)c1nc(-c2ccccc2)nc(N)c1OC.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(I)cc2)c1Cl.Nc1cc(-c2cc(F)c(C(F)F)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(C(F)(F)F)c(F)c2F)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C14H8ClF5N2O2.C13H11BrFN3O3.C13H6ClF5N2O2.C13H7ClF4N2O2.C13H13N3O3.C12H7Cl2IN2O2/c1-24-14(23)12-8(15)10(21)9(18)11(22-12)4-2-7(17)5(13(19)20)3-6(4)16;1-20-10-9(13(19)21-2)17-12(18-11(10)16)6-3-4-7(14)8(15)5-6;14-8-6(20)3-7(21-11(8)12(22)23)4-1-2-5(13(17,18)19)10(16)9(4)15;14-10-8(19)3-9(20-11(10)13(21)22)4-1-7(16)5(12(17)18)2-6(4)15;1-18-10-9(13(17)19-2)15-12(16-11(10)14)8-6-4-3-5-7-8;13-7-9(16)8(14)11(12(18)19)17-10(7)5-1-3-6(15)4-2-5/h2-3,13H,1H3,(H2,21,22);3-5H,1-2H3,(H2,16,17,18);1-3H,(H2,20,21)(H,22,23);1-3,12H,(H2,19,20)(H,21,22);3-7H,1-2H3,(H2,14,15,16);1-4H,(H2,16,17)(H,18,19)
• InChIKey: KKFALQQBVWCLSL-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 468.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2078.40
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate?

The IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate (CID 159158589) is 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate.

What is the SMILES notation for 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate?

The canonical SMILES for 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate is COC(=O)c1nc(-c2cc(F)c(C(F)F)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(Br)c(F)c2)nc(N)c1OC.COC(=O)c1nc(-c2ccccc2)nc(N)c1OC.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(I)cc2)c1Cl.Nc1cc(-c2cc(F)c(C(F)F)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(C(F)(F)F)c(F)c2F)nc(C(=O)O)c1Cl.

What is the InChIKey of 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate?

The InChIKey is KKFALQQBVWCLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5N2O2.C13H11BrFN3O3.C13H6ClF5N2O2.C13H7ClF4N2O2.C13H13N3O3.C12H7Cl2IN2O2/c1-24-14(23)12-8(15)10(21)9(18)11(22-12)4-2-7(17)5(13(19)20)3-6(4)16;1-20-10-9(13(19)21-2)17-12(18-11(10)16)6-3-4-7(14)8(15)5-6;14-8-6(20)3-7(21-11(8)12(22)23)4-1-2-5(13(17,18)19)10(16)9(4)15;14-10-8(19)3-9(20-11(10)13(21)22)4-1-7(16)5(12(17)18)2-6(4)15;1-18-10-9(13(17)19-2)15-12(16-11(10)14)8-6-4-3-5-7-8;13-7-9(16)8(14)11(12(18)19)17-10(7)5-1-3-6(15)4-2-5/h2-3,13H,1H3,(H2,21,22);3-5H,1-2H3,(H2,16,17,18);1-3H,(H2,20,21)(H,22,23);1-3,12H,(H2,19,20)(H,21,22);3-7H,1-2H3,(H2,14,15,16);1-4H,(H2,16,17)(H,18,19).

What are the key properties of 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate?

4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate has a molecular weight of 2078.40 g/mol, XLogP of 19.89, 16 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;methyl 6-amino-2-(4-bromo-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylate;methyl 6-amino-5-methoxy-2-phenylpyrimidine-4-carboxylate is sourced from PubChem (CID 159158589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).