4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate

C78H46Br2Cl6F13I2N13O12 — CID 157418068

About 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate

4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate (PubChem CID 157418068) has the molecular formula C78H46Br2Cl6F13I2N13O12 and a molecular weight of 2230.61 g/mol. Its IUPAC name is 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate
• PubChem CID: 157418068
• Molecular Formula: C78H46Br2Cl6F13I2N13O12
• Molecular Weight: 2230.61 g/mol
• Exact Mass: 2224.78
• IUPAC Name: 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(C#N)c(F)c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(I)cc2)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(I)cc2F)cc(N)c1Cl.Cc1c(-c2ccc(C(F)(F)F)c(F)c2)nc(C(=O)O)c(Cl)c1N.Nc1c(F)c(-c2ccc(Br)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2c(F)cc(Br)c(F)c2F)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C14H9ClF4N2O2.C14H7ClF3N3O2.C13H9ClFIN2O2.C13H10ClIN2O2.C12H5BrClF3N2O2.C12H6BrClF2N2O2/c1-5-10(20)9(15)12(13(22)23)21-11(5)6-2-3-7(8(16)4-6)14(17,18)19;1-23-14(22)13-7(15)11(20)10(18)12(21-13)6-3-2-5(4-19)8(16)9(6)17;1-20-13(19)12-11(14)9(17)5-10(18-12)7-3-2-6(16)4-8(7)15;1-19-13(18)12-11(14)9(16)6-10(17-12)7-2-4-8(15)5-3-7;13-3-1-4(15)7(10(17)9(3)16)6-2-5(18)8(14)11(19-6)12(20)21;13-4-1-2-5(6(15)3-4)10-8(16)9(17)7(14)11(18-10)12(19)20/h2-4H,1H3,(H2,20,21)(H,22,23);2-3H,1H3,(H2,20,21);2-5H,1H3,(H2,17,18);2-6H,1H3,(H2,16,17);1-2H,(H2,18,19)(H,20,21);1-3H,(H2,17,18)(H,19,20)
• InChIKey: BPBUEZUOUHTVPK-UHFFFAOYSA-N
• XLogP: 21.68
• TPSA: 448.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2230.61
LogP ≤ 5	21.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

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'}

Frequently Asked Questions

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

The IUPAC name of 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate (CID 157418068) is 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate.

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

The canonical SMILES for 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C#N)c(F)c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(I)cc2)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(I)cc2F)cc(N)c1Cl.Cc1c(-c2ccc(C(F)(F)F)c(F)c2)nc(C(=O)O)c(Cl)c1N.Nc1c(F)c(-c2ccc(Br)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2c(F)cc(Br)c(F)c2F)nc(C(=O)O)c1Cl.

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

The InChIKey is BPBUEZUOUHTVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2O2.C14H7ClF3N3O2.C13H9ClFIN2O2.C13H10ClIN2O2.C12H5BrClF3N2O2.C12H6BrClF2N2O2/c1-5-10(20)9(15)12(13(22)23)21-11(5)6-2-3-7(8(16)4-6)14(17,18)19;1-23-14(22)13-7(15)11(20)10(18)12(21-13)6-3-2-5(4-19)8(16)9(6)17;1-20-13(19)12-11(14)9(17)5-10(18-12)7-3-2-6(16)4-8(7)15;1-19-13(18)12-11(14)9(16)6-10(17-12)7-2-4-8(15)5-3-7;13-3-1-4(15)7(10(17)9(3)16)6-2-5(18)8(14)11(19-6)12(20)21;13-4-1-2-5(6(15)3-4)10-8(16)9(17)7(14)11(18-10)12(19)20/h2-4H,1H3,(H2,20,21)(H,22,23);2-3H,1H3,(H2,20,21);2-5H,1H3,(H2,17,18);2-6H,1H3,(H2,16,17);1-2H,(H2,18,19)(H,20,21);1-3H,(H2,17,18)(H,19,20).

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

4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate has a molecular weight of 2230.61 g/mol, XLogP of 21.68, 12 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 157418068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).