methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

C73H55ClF16N12O17 — CID 159719184

About methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 159719184) has the molecular formula C73H55ClF16N12O17 and a molecular weight of 1711.73 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• PubChem CID: 159719184
• Molecular Formula: C73H55ClF16N12O17
• Molecular Weight: 1711.73 g/mol
• Exact Mass: 1710.32
• IUPAC Name: methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1nc(-c2cc(F)c(Cl)cc2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(C#N)cc2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc3c(c2F)OCO3)c(F)c(N)c1OC
• InChI: InChI=1S/C15H10F6N2O3.C15H12F2N2O5.C15H12FN3O3.C14H10ClF3N2O3.C14H11F4N3O3/c1-25-13-10(22)9(18)11(23-12(13)14(24)26-2)5-3-4-6(15(19,20)21)8(17)7(5)16;1-21-14-10(18)9(17)11(19-12(14)15(20)22-2)6-3-4-7-13(8(6)16)24-5-23-7;1-21-14-11(18)10(16)12(19-13(14)15(20)22-2)9-5-3-8(7-17)4-6-9;1-22-13-10(19)9(18)11(20-12(13)14(21)23-2)5-3-8(17)6(15)4-7(5)16;1-23-12-9(19)8(15)10(21-11(12)13(22)24-2)6-3-4-7(20-5-6)14(16,17)18/h3-4H,1-2H3,(H2,22,23);3-4H,5H2,1-2H3,(H2,18,19);3-6H,1-2H3,(H2,18,19);3-4H,1-2H3,(H2,19,20);3-5H,1-2H3,(H2,19,21)
• InChIKey: MZUUXCSDPHZARG-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 427.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.73
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	5
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'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The IUPAC name of methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 159719184) is methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The canonical SMILES for methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2cc(F)c(Cl)cc2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(C#N)cc2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc3c(c2F)OCO3)c(F)c(N)c1OC.

What is the InChIKey of methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

The InChIKey is MZUUXCSDPHZARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O3.C15H12F2N2O5.C15H12FN3O3.C14H10ClF3N2O3.C14H11F4N3O3/c1-25-13-10(22)9(18)11(23-12(13)14(24)26-2)5-3-4-6(15(19,20)21)8(17)7(5)16;1-21-14-10(18)9(17)11(19-12(14)15(20)22-2)6-3-4-7-13(8(6)16)24-5-23-7;1-21-14-11(18)10(16)12(19-13(14)15(20)22-2)9-5-3-8(7-17)4-6-9;1-22-13-10(19)9(18)11(20-12(13)14(21)23-2)5-3-8(17)6(15)4-7(5)16;1-23-12-9(19)8(15)10(21-11(12)13(22)24-2)6-3-4-7(20-5-6)14(16,17)18/h3-4H,1-2H3,(H2,22,23);3-4H,5H2,1-2H3,(H2,18,19);3-6H,1-2H3,(H2,18,19);3-4H,1-2H3,(H2,19,20);3-5H,1-2H3,(H2,19,21).

What are the key properties of methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?

methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 1711.73 g/mol, XLogP of 13.71, 15 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluoro-1,3-benzodioxol-5-yl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 159719184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).