4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate

C69H52Cl6F12N12O15S3 — CID 158039477

About 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate

4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate (PubChem CID 158039477) has the molecular formula C69H52Cl6F12N12O15S3 and a molecular weight of 1826.14 g/mol. Its IUPAC name is 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
• PubChem CID: 158039477
• Molecular Formula: C69H52Cl6F12N12O15S3
• Molecular Weight: 1826.14 g/mol
• Exact Mass: 1822.08
• IUPAC Name: 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2ccc(Cl)cc2F)c(F)c(N)c1OC.COC(=O)c1nc(Cl)c(F)c(N)c1SC.COc1c(C(=O)O)nc(-c2ccc(Cl)cc2F)c(F)c1N.CSc1c(C(=O)O)nc(-c2ccc(Cl)c(F)c2)c(F)c1N.CSc1c(C(=O)O)nc(Cl)c(F)c1N.Nc1cc(-c2ccc(Cl)cc2F)nc(C(=O)O)c1OCC(F)(F)F
• InChI: InChI=1S/C14H9ClF4N2O3.C14H11ClF2N2O3.C13H9ClF2N2O3.C13H9ClF2N2O2S.C8H8ClFN2O2S.C7H6ClFN2O2S/c15-6-1-2-7(8(16)3-6)10-4-9(20)12(11(21-10)13(22)23)24-5-14(17,18)19;1-21-13-10(18)9(17)11(19-12(13)14(20)22-2)7-4-3-6(15)5-8(7)16;1-21-12-9(17)8(16)10(18-11(12)13(19)20)6-3-2-5(14)4-7(6)15;1-21-12-9(17)8(16)10(18-11(12)13(19)20)5-2-3-6(14)7(15)4-5;1-14-8(13)5-6(15-2)4(11)3(10)7(9)12-5;1-14-5-3(10)2(9)6(8)11-4(5)7(12)13/h1-4H,5H2,(H2,20,21)(H,22,23);3-5H,1-2H3,(H2,18,19);2*2-4H,1H3,(H2,17,18)(H,19,20);1-2H3,(H2,11,12);1H3,(H2,10,11)(H,12,13)
• InChIKey: FIEDYVXGKXVSEA-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 462.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1826.14
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?

The IUPAC name of 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate (CID 158039477) is 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate.

What is the SMILES notation for 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?

The canonical SMILES for 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)cc2F)c(F)c(N)c1OC.COC(=O)c1nc(Cl)c(F)c(N)c1SC.COc1c(C(=O)O)nc(-c2ccc(Cl)cc2F)c(F)c1N.CSc1c(C(=O)O)nc(-c2ccc(Cl)c(F)c2)c(F)c1N.CSc1c(C(=O)O)nc(Cl)c(F)c1N.Nc1cc(-c2ccc(Cl)cc2F)nc(C(=O)O)c1OCC(F)(F)F.

What is the InChIKey of 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?

The InChIKey is FIEDYVXGKXVSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2O3.C14H11ClF2N2O3.C13H9ClF2N2O3.C13H9ClF2N2O2S.C8H8ClFN2O2S.C7H6ClFN2O2S/c15-6-1-2-7(8(16)3-6)10-4-9(20)12(11(21-10)13(22)23)24-5-14(17,18)19;1-21-13-10(18)9(17)11(19-12(13)14(20)22-2)7-4-3-6(15)5-8(7)16;1-21-12-9(17)8(16)10(18-11(12)13(19)20)6-3-2-5(14)4-7(6)15;1-21-12-9(17)8(16)10(18-11(12)13(19)20)5-2-3-6(14)7(15)4-5;1-14-8(13)5-6(15-2)4(11)3(10)7(9)12-5;1-14-5-3(10)2(9)6(8)11-4(5)7(12)13/h1-4H,5H2,(H2,20,21)(H,22,23);3-5H,1-2H3,(H2,18,19);2*2-4H,1H3,(H2,17,18)(H,19,20);1-2H3,(H2,11,12);1H3,(H2,10,11)(H,12,13).

What are the key properties of 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate?

4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate has a molecular weight of 1826.14 g/mol, XLogP of 17.31, 17 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methylsulfanylpyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;methyl 4-amino-6-chloro-5-fluoro-3-methylsulfanylpyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 158039477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).