4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate

C95H62Br2Cl6F7IN18O15 — CID 157476161

About 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate

4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate (PubChem CID 157476161) has the molecular formula C95H62Br2Cl6F7IN18O15 and a molecular weight of 2328.07 g/mol. Its IUPAC name is 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate
• PubChem CID: 157476161
• Molecular Formula: C95H62Br2Cl6F7IN18O15
• Molecular Weight: 2328.07 g/mol
• Exact Mass: 2322.01
• IUPAC Name: 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate
• SMILES: C#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2C)cc1F.C#Cc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cc1.C=Cc1c(N)nc(-c2ccc(C#N)cc2F)nc1C(=O)O.COC(=O)c1nc(-c2cc(F)c(Br)cc2F)nc(N)c1OC.COC(=O)c1nc(-c2ccc(C#N)cc2)c(Cl)c(N)c1Cl.Nc1cc(-c2cc(F)c(Br)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(I)cc2)nc(C(=O)O)c1Cl
• InChI: InChI=1S/2C15H10ClFN2O2.C14H9Cl2N3O2.C14H9FN4O2.C13H10BrF2N3O3.C12H6BrClF2N2O2.C12H8ClIN2O2/c1-3-8-4-6-9(7-5-8)13-11(17)12(18)10(16)14(19-13)15(20)21-2;1-3-8-4-5-9(6-10(8)17)13-7(2)12(18)11(16)14(19-13)15(20)21;1-21-14(20)13-10(16)11(18)9(15)12(19-13)8-4-2-7(6-17)3-5-8;1-2-8-11(14(20)21)18-13(19-12(8)17)9-4-3-7(6-16)5-10(9)15;1-21-10-9(13(20)22-2)18-12(19-11(10)17)5-3-8(16)6(14)4-7(5)15;13-5-2-6(15)4(1-7(5)16)9-3-8(17)10(14)11(18-9)12(19)20;13-10-8(15)5-9(16-11(10)12(17)18)6-1-3-7(14)4-2-6/h1,4-7H,2H3,(H2,18,19);1,4-6H,2H3,(H2,18,19)(H,20,21);2-5H,1H3,(H2,18,19);2-5H,1H2,(H,20,21)(H2,17,18,19);3-4H,1-2H3,(H2,17,18,19);1-3H,(H2,17,18)(H,19,20);1-5H,(H2,15,16)(H,17,18)
• InChIKey: BVPPWIKMFYDFFQ-UHFFFAOYSA-N
• XLogP: 20.95
• TPSA: 583.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.07
LogP ≤ 5	20.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate?

The IUPAC name of 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate (CID 157476161) is 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate.

What is the SMILES notation for 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate?

The canonical SMILES for 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate is C#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2C)cc1F.C#Cc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cc1.C=Cc1c(N)nc(-c2ccc(C#N)cc2F)nc1C(=O)O.COC(=O)c1nc(-c2cc(F)c(Br)cc2F)nc(N)c1OC.COC(=O)c1nc(-c2ccc(C#N)cc2)c(Cl)c(N)c1Cl.Nc1cc(-c2cc(F)c(Br)cc2F)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(I)cc2)nc(C(=O)O)c1Cl.

What is the InChIKey of 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate?

The InChIKey is BVPPWIKMFYDFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10ClFN2O2.C14H9Cl2N3O2.C14H9FN4O2.C13H10BrF2N3O3.C12H6BrClF2N2O2.C12H8ClIN2O2/c1-3-8-4-6-9(7-5-8)13-11(17)12(18)10(16)14(19-13)15(20)21-2;1-3-8-4-5-9(6-10(8)17)13-7(2)12(18)11(16)14(19-13)15(20)21;1-21-14(20)13-10(16)11(18)9(15)12(19-13)8-4-2-7(6-17)3-5-8;1-2-8-11(14(20)21)18-13(19-12(8)17)9-4-3-7(6-16)5-10(9)15;1-21-10-9(13(20)22-2)18-12(19-11(10)17)5-3-8(16)6(14)4-7(5)15;13-5-2-6(15)4(1-7(5)16)9-3-8(17)10(14)11(18-9)12(19)20;13-10-8(15)5-9(16-11(10)12(17)18)6-1-3-7(14)4-2-6/h1,4-7H,2H3,(H2,18,19);1,4-6H,2H3,(H2,18,19)(H,20,21);2-5H,1H3,(H2,18,19);2-5H,1H2,(H,20,21)(H2,17,18,19);3-4H,1-2H3,(H2,17,18,19);1-3H,(H2,17,18)(H,19,20);1-5H,(H2,15,16)(H,17,18).

What are the key properties of 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate?

4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate has a molecular weight of 2328.07 g/mol, XLogP of 20.95, 16 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-(4-bromo-2,5-difluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-ethynyl-3-fluorophenyl)-5-methylpyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylic acid;6-amino-2-(4-cyano-2-fluorophenyl)-5-ethenylpyrimidine-4-carboxylic acid;methyl 6-amino-2-(4-bromo-2,5-difluorophenyl)-5-methoxypyrimidine-4-carboxylate;methyl 4-amino-3-chloro-6-(4-ethynylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 157476161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).