ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate

C70H69Cl4F7N12O12S2 — CID 159986374

About ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate

ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate (PubChem CID 159986374) has the molecular formula C70H69Cl4F7N12O12S2 and a molecular weight of 1609.33 g/mol. Its IUPAC name is ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate
• PubChem CID: 159986374
• Molecular Formula: C70H69Cl4F7N12O12S2
• Molecular Weight: 1609.33 g/mol
• Exact Mass: 1606.32
• IUPAC Name: ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate
• SMILES: CCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1SC.CCOC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1SCC(F)(F)F.CNc1cc(-c2ccc(Cl)cc2)nc(C(=O)OC)c1N.COC(=O)c1nc(-c2ccc(Cl)cc2)cc(N(C)C)c1N.COC(=O)c1nc(C(F)F)cc(N)c1OC
• InChI: InChI=1S/C16H13ClF4N2O2S.C16H16ClFN2O3S.C15H16ClN3O2.C14H14ClN3O2.C9H10F2N2O3/c1-2-25-15(24)13-14(26-7-16(19,20)21)11(22)6-12(23-13)9-4-3-8(17)5-10(9)18;1-4-23-16(21)13-15(24-3)10(19)7-11(20-13)8-5-6-9(17)14(22-2)12(8)18;1-19(2)12-8-11(9-4-6-10(16)7-5-9)18-14(13(12)17)15(20)21-3;1-17-11-7-10(8-3-5-9(15)6-4-8)18-13(12(11)16)14(19)20-2;1-15-7-4(12)3-5(8(10)11)13-6(7)9(14)16-2/h3-6H,2,7H2,1H3,(H2,22,23);5-7H,4H2,1-3H3,(H2,19,20);4-8H,17H2,1-3H3;3-7H,16H2,1-2H3,(H,17,18);3,8H,1-2H3,(H2,12,13)
• InChIKey: OGJQZMOISVJFIA-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 359.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1609.33
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate?

The IUPAC name of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate (CID 159986374) is ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate.

What is the SMILES notation for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate?

The canonical SMILES for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1SC.CCOC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1SCC(F)(F)F.CNc1cc(-c2ccc(Cl)cc2)nc(C(=O)OC)c1N.COC(=O)c1nc(-c2ccc(Cl)cc2)cc(N(C)C)c1N.COC(=O)c1nc(C(F)F)cc(N)c1OC.

What is the InChIKey of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate?

The InChIKey is OGJQZMOISVJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O2S.C16H16ClFN2O3S.C15H16ClN3O2.C14H14ClN3O2.C9H10F2N2O3/c1-2-25-15(24)13-14(26-7-16(19,20)21)11(22)6-12(23-13)9-4-3-8(17)5-10(9)18;1-4-23-16(21)13-15(24-3)10(19)7-11(20-13)8-5-6-9(17)14(22-2)12(8)18;1-19(2)12-8-11(9-4-6-10(16)7-5-9)18-14(13(12)17)15(20)21-3;1-17-11-7-10(8-3-5-9(15)6-4-8)18-13(12(11)16)14(19)20-2;1-15-7-4(12)3-5(8(10)11)13-6(7)9(14)16-2/h3-6H,2,7H2,1H3,(H2,22,23);5-7H,4H2,1-3H3,(H2,19,20);4-8H,17H2,1-3H3;3-7H,16H2,1-2H3,(H,17,18);3,8H,1-2H3,(H2,12,13).

What are the key properties of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate?

ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 1609.33 g/mol, XLogP of 16.03, 19 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-methylsulfanylpyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethylsulfanyl)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxylate;methyl 3-amino-6-(4-chlorophenyl)-4-(methylamino)pyridine-2-carboxylate;methyl 4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 159986374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).