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

C78H42Cl7F18I2N13O14 — CID 159262336

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

4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 159262336) has the molecular formula C78H42Cl7F18I2N13O14 and a molecular weight of 2229.21 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
• PubChem CID: 159262336
• Molecular Formula: C78H42Cl7F18I2N13O14
• Molecular Weight: 2229.21 g/mol
• Exact Mass: 2224.86
• IUPAC Name: 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2cc(F)c(C(F)(F)F)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C#N)cc2)c(F)c(N)c1Cl.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(I)c(F)c2)c1Cl.Nc1c(F)c(-c2ccc(I)c(F)c2F)nc(C(=O)O)c1Cl.Nc1c(F)c(-c2ccc(OC(F)F)cc2)nc(C(=O)O)c1Cl.Nc1c(F)c(-c2ccc(OC(F)F)cc2F)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C14H7ClF6N2O2.C14H9ClFN3O2.C13H7ClF4N2O3.C13H8ClF3N2O3.C12H6Cl2FIN2O2.C12H5ClF3IN2O2/c1-25-13(24)12-8(15)10(22)9(18)11(23-12)4-2-7(17)5(3-6(4)16)14(19,20)21;1-21-14(20)13-9(15)11(18)10(16)12(19-13)8-4-2-7(6-17)3-5-8;14-7-9(19)8(16)10(20-11(7)12(21)22)5-2-1-4(3-6(5)15)23-13(17)18;14-7-9(18)8(15)10(19-11(7)12(20)21)5-1-3-6(4-2-5)22-13(16)17;13-7-9(17)8(14)11(12(19)20)18-10(7)4-1-2-6(16)5(15)3-4;13-5-9(18)8(16)10(19-11(5)12(20)21)3-1-2-4(17)7(15)6(3)14/h2-3H,1H3,(H2,22,23);2-5H,1H3,(H2,18,19);1-3,13H,(H2,19,20)(H,21,22);1-4,13H,(H2,18,19)(H,20,21);1-3H,(H2,17,18)(H,19,20);1-2H,(H2,18,19)(H,20,21)
• InChIKey: KWRBRTMRCHZMNT-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 477.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.21
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate (CID 159262336) is 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2cc(F)c(C(F)(F)F)cc2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(C#N)cc2)c(F)c(N)c1Cl.Nc1c(Cl)c(C(=O)O)nc(-c2ccc(I)c(F)c2)c1Cl.Nc1c(F)c(-c2ccc(I)c(F)c2F)nc(C(=O)O)c1Cl.Nc1c(F)c(-c2ccc(OC(F)F)cc2)nc(C(=O)O)c1Cl.Nc1c(F)c(-c2ccc(OC(F)F)cc2F)nc(C(=O)O)c1Cl.

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

The InChIKey is KWRBRTMRCHZMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF6N2O2.C14H9ClFN3O2.C13H7ClF4N2O3.C13H8ClF3N2O3.C12H6Cl2FIN2O2.C12H5ClF3IN2O2/c1-25-13(24)12-8(15)10(22)9(18)11(23-12)4-2-7(17)5(3-6(4)16)14(19,20)21;1-21-14(20)13-9(15)11(18)10(16)12(19-13)8-4-2-7(6-17)3-5-8;14-7-9(19)8(16)10(20-11(7)12(21)22)5-2-1-4(3-6(5)15)23-13(17)18;14-7-9(18)8(15)10(19-11(7)12(20)21)5-1-3-6(4-2-5)22-13(16)17;13-7-9(17)8(14)11(12(19)20)18-10(7)4-1-2-6(16)5(15)3-4;13-5-9(18)8(16)10(19-11(5)12(20)21)3-1-2-4(17)7(15)6(3)14/h2-3H,1H3,(H2,22,23);2-5H,1H3,(H2,18,19);1-3,13H,(H2,19,20)(H,21,22);1-4,13H,(H2,18,19)(H,20,21);1-3H,(H2,17,18)(H,19,20);1-2H,(H2,18,19)(H,20,21).

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

4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 2229.21 g/mol, XLogP of 21.76, 16 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-chloro-6-(2,3-difluoro-4-iodophenyl)-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3,5-dichloro-6-(3-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyanophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[2,5-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 159262336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).