4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate

C68H56Cl4F12N8O13 — CID 161304590

About 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate

4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate (PubChem CID 161304590) has the molecular formula C68H56Cl4F12N8O13 and a molecular weight of 1563.03 g/mol. Its IUPAC name is 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
• PubChem CID: 161304590
• Molecular Formula: C68H56Cl4F12N8O13
• Molecular Weight: 1563.03 g/mol
• Exact Mass: 1560.25
• IUPAC Name: 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
• SMILES: CCOC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OCC(F)(F)F.CCOC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OCC(F)F.COc1c(C(=O)O)nc(-c2ccc(Cl)c(C(C)F)c2F)c(F)c1N.COc1c(C(=O)OCc2ccccc2)nc(-c2ccc(Cl)c(OC)c2F)c(F)c1N
• InChI: InChI=1S/C21H17ClF2N2O4.C16H13ClF4N2O3.C16H14ClF3N2O3.C15H12ClF3N2O3/c1-28-19-13(22)9-8-12(14(19)23)17-15(24)16(25)20(29-2)18(26-17)21(27)30-10-11-6-4-3-5-7-11;1-2-25-15(24)13-14(26-7-16(19,20)21)11(22)6-12(23-13)9-4-3-8(17)5-10(9)18;1-2-24-16(23)14-15(25-7-13(19)20)11(21)6-12(22-14)9-4-3-8(17)5-10(9)18;1-5(17)8-7(16)4-3-6(9(8)18)12-10(19)11(20)14(24-2)13(21-12)15(22)23/h3-9H,10H2,1-2H3,(H2,25,26);3-6H,2,7H2,1H3,(H2,22,23);3-6,13H,2,7H2,1H3,(H2,21,22);3-5H,1-2H3,(H2,20,21)(H,22,23)
• InChIKey: VIBQLBGARHRBMR-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 317.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1563.03
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate?

The IUPAC name of 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate (CID 161304590) is 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate.

What is the SMILES notation for 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate?

The canonical SMILES for 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OCC(F)(F)F.CCOC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OCC(F)F.COc1c(C(=O)O)nc(-c2ccc(Cl)c(C(C)F)c2F)c(F)c1N.COc1c(C(=O)OCc2ccccc2)nc(-c2ccc(Cl)c(OC)c2F)c(F)c1N.

What is the InChIKey of 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate?

The InChIKey is VIBQLBGARHRBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4.C16H13ClF4N2O3.C16H14ClF3N2O3.C15H12ClF3N2O3/c1-28-19-13(22)9-8-12(14(19)23)17-15(24)16(25)20(29-2)18(26-17)21(27)30-10-11-6-4-3-5-7-11;1-2-25-15(24)13-14(26-7-16(19,20)21)11(22)6-12(23-13)9-4-3-8(17)5-10(9)18;1-2-24-16(23)14-15(25-7-13(19)20)11(21)6-12(22-14)9-4-3-8(17)5-10(9)18;1-5(17)8-7(16)4-3-6(9(8)18)12-10(19)11(20)14(24-2)13(21-12)15(22)23/h3-9H,10H2,1-2H3,(H2,25,26);3-6H,2,7H2,1H3,(H2,22,23);3-6,13H,2,7H2,1H3,(H2,21,22);3-5H,1-2H3,(H2,20,21)(H,22,23).

What are the key properties of 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate?

4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate has a molecular weight of 1563.03 g/mol, XLogP of 16.82, 21 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;benzyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2-difluoroethoxy)pyridine-2-carboxylate;ethyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 161304590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).