4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate

C80H49BrCl6F16IN13O14 — CID 159354434

About 4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate

4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate (PubChem CID 159354434) has the molecular formula C80H49BrCl6F16IN13O14 and a molecular weight of 2139.84 g/mol. Its IUPAC name is 4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate
• PubChem CID: 159354434
• Molecular Formula: C80H49BrCl6F16IN13O14
• Molecular Weight: 2139.84 g/mol
• Exact Mass: 2134.96
• IUPAC Name: 4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate
• SMILES: C#Cc1ccc(-c2nc(N)c(OC)c(C(=O)OC)n2)cc1.COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c(N)c1Cl.Nc1c(F)c(-c2ccc(C(F)(F)F)c(F)c2F)nc(C(=O)O)c1Cl.Nc1c(F)c(-c2ccc(I)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Br)cc2)nc(C(=O)O)c1Cl
• InChI: InChI=1S/C15H13N3O3.C14H9Cl2F3N2O3.C14H8ClF5N2O2.C13H5ClF6N2O2.C12H8BrClN2O2.C12H6ClF2IN2O2/c1-4-9-5-7-10(8-6-9)14-17-11(15(19)21-3)12(20-2)13(16)18-14;1-23-13(22)12-9(16)10(20)8(15)11(21-12)6-2-4-7(5-3-6)24-14(17,18)19;1-24-13(23)12-8(15)10(21)9(17)11(22-12)5-2-3-6(7(16)4-5)14(18,19)20;14-5-9(21)8(17)10(22-11(5)12(23)24)3-1-2-4(13(18,19)20)7(16)6(3)15;13-7-3-1-6(2-4-7)9-5-8(15)10(14)11(16-9)12(17)18;13-7-9(17)8(15)10(18-11(7)12(19)20)5-2-1-4(16)3-6(5)14/h1,5-8H,2-3H3,(H2,16,17,18);2-5H,1H3,(H2,20,21);2-4H,1H3,(H2,21,22);1-2H,(H2,21,22)(H,23,24);1-5H,(H2,15,16)(H,17,18);1-3H,(H2,17,18)(H,19,20)
• InChIKey: LHTBFLRHIGRCCB-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 455.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2139.84
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate?

The IUPAC name of 4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate (CID 159354434) is 4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate.

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

The canonical SMILES for 4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate is C#Cc1ccc(-c2nc(N)c(OC)c(C(=O)OC)n2)cc1.COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c(N)c1Cl.Nc1c(F)c(-c2ccc(C(F)(F)F)c(F)c2F)nc(C(=O)O)c1Cl.Nc1c(F)c(-c2ccc(I)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Br)cc2)nc(C(=O)O)c1Cl.

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

The InChIKey is LHTBFLRHIGRCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3.C14H9Cl2F3N2O3.C14H8ClF5N2O2.C13H5ClF6N2O2.C12H8BrClN2O2.C12H6ClF2IN2O2/c1-4-9-5-7-10(8-6-9)14-17-11(15(19)21-3)12(20-2)13(16)18-14;1-23-13(22)12-9(16)10(20)8(15)11(21-12)6-2-4-7(5-3-6)24-14(17,18)19;1-24-13(23)12-8(15)10(21)9(17)11(22-12)5-2-3-6(7(16)4-5)14(18,19)20;14-5-9(21)8(17)10(22-11(5)12(23)24)3-1-2-4(13(18,19)20)7(16)6(3)15;13-7-3-1-6(2-4-7)9-5-8(15)10(14)11(16-9)12(17)18;13-7-9(17)8(15)10(18-11(7)12(19)20)5-2-1-4(16)3-6(5)14/h1,5-8H,2-3H3,(H2,16,17,18);2-5H,1H3,(H2,20,21);2-4H,1H3,(H2,21,22);1-2H,(H2,21,22)(H,23,24);1-5H,(H2,15,16)(H,17,18);1-3H,(H2,17,18)(H,19,20).

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

4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate has a molecular weight of 2139.84 g/mol, XLogP of 21.02, 14 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-(4-bromophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;methyl 6-amino-2-(4-ethynylphenyl)-5-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 159354434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).