4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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

C82H66Cl5F15N10O17 — CID 161429298

About 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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 161429298) has the molecular formula C82H66Cl5F15N10O17 and a molecular weight of 1925.72 g/mol. Its IUPAC name is 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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: 161429298
• Molecular Formula: C82H66Cl5F15N10O17
• Molecular Weight: 1925.72 g/mol
• Exact Mass: 1922.28
• IUPAC Name: 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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.COc1c(Cl)ccc(-c2cc(N)c(OC(F)F)c(C(=O)O)n2)c1F
• InChI: InChI=1S/C21H17ClF2N2O4.C16H13ClF4N2O3.C16H14ClF3N2O3.C15H12ClF3N2O3.C14H10ClF3N2O4/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;1-23-11-6(15)3-2-5(9(11)16)8-4-7(19)12(24-14(17)18)10(20-8)13(21)22/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);2-4,14H,1H3,(H2,19,20)(H,21,22)
• InChIKey: VXUJDWQDMGLYFT-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 412.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1925.72
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

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;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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 161429298) is 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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.COc1c(Cl)ccc(-c2cc(N)c(OC(F)F)c(C(=O)O)n2)c1F.

What is the InChIKey of 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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 VXUJDWQDMGLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4.C16H13ClF4N2O3.C16H14ClF3N2O3.C15H12ClF3N2O3.C14H10ClF3N2O4/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;1-23-11-6(15)3-2-5(9(11)16)8-4-7(19)12(24-14(17)18)10(20-8)13(21)22/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);2-4,14H,1H3,(H2,19,20)(H,21,22).

What are the key properties of 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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 1925.72 g/mol, XLogP of 20.25, 26 rotatable bonds, 7 hydrogen bond donors, and 25 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;4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-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 161429298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).