ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate

C67H59Cl5F8N10O17 — CID 160592133

IUPACethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.COC(=O)c1nc(-c2ccc(Cl)cc2)cc(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OC.COC(=O)c1nc(Cl)c(F)c(N)c1OC
InChIInChI=1S/C16H14ClF3N2O4.C15H12ClF3N2O4.C14H12ClFN2O3.C14H13ClN2O3.C8H8ClFN2O3/c1-3-25-15(23)12-14(26-16(19)20)9(21)6-10(22-12)7-4-5-8(17)13(24-2)11(7)18;1-23-12-7(16)4-3-6(10(12)17)9-5-8(20)13(25-15(18)19)11(21-9)14(22)24-2;1-20-13-10(17)6-11(18-12(13)14(19)21-2)8-4-3-7(15)5-9(8)16;1-19-13-10(16)7-11(17-12(13)14(18)20-2)8-3-5-9(15)6-4-8;1-14-6-4(11)3(10)7(9)12-5(6)8(13)15-2/h4-6,16H,3H2,1-2H3,(H2,21,22);3-5,15H,1-2H3,(H2,20,21);3-6H,1-2H3,(H2,17,18);3-7H,1-2H3,(H2,16,17);1-2H3,(H2,11,12)
InChIKeyRDDYPVJXUQFIHO-UHFFFAOYSA-N
MW1605.51 g/mol
LogP14.38
Rot. Bonds19

About ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate

ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate (PubChem CID 160592133) has the molecular formula C67H59Cl5F8N10O17 and a molecular weight of 1605.51 g/mol. Its IUPAC name is ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate
PubChem CID160592133
Molecular FormulaC67H59Cl5F8N10O17
Molecular Weight1605.51 g/mol
Exact Mass1602.24
IUPAC Nameethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.COC(=O)c1nc(-c2ccc(Cl)cc2)cc(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OC.COC(=O)c1nc(Cl)c(F)c(N)c1OC
InChIInChI=1S/C16H14ClF3N2O4.C15H12ClF3N2O4.C14H12ClFN2O3.C14H13ClN2O3.C8H8ClFN2O3/c1-3-25-15(23)12-14(26-16(19)20)9(21)6-10(22-12)7-4-5-8(17)13(24-2)11(7)18;1-23-12-7(16)4-3-6(10(12)17)9-5-8(20)13(25-15(18)19)11(21-9)14(22)24-2;1-20-13-10(17)6-11(18-12(13)14(19)21-2)8-4-3-7(15)5-9(8)16;1-19-13-10(16)7-11(17-12(13)14(18)20-2)8-3-5-9(15)6-4-8;1-14-6-4(11)3(10)7(9)12-5(6)8(13)15-2/h4-6,16H,3H2,1-2H3,(H2,21,22);3-5,15H,1-2H3,(H2,20,21);3-6H,1-2H3,(H2,17,18);3-7H,1-2H3,(H2,16,17);1-2H3,(H2,11,12)
InChIKeyRDDYPVJXUQFIHO-UHFFFAOYSA-N
XLogP14.38
TPSA390.66 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.51
LogP ≤ 514.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate (CID 160592133) is ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.COC(=O)c1nc(-c2ccc(Cl)cc2)cc(N)c1OC.COC(=O)c1nc(-c2ccc(Cl)cc2F)cc(N)c1OC.COC(=O)c1nc(Cl)c(F)c(N)c1OC.
What is the InChIKey of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate?
The InChIKey is RDDYPVJXUQFIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4.C15H12ClF3N2O4.C14H12ClFN2O3.C14H13ClN2O3.C8H8ClFN2O3/c1-3-25-15(23)12-14(26-16(19)20)9(21)6-10(22-12)7-4-5-8(17)13(24-2)11(7)18;1-23-12-7(16)4-3-6(10(12)17)9-5-8(20)13(25-15(18)19)11(21-9)14(22)24-2;1-20-13-10(17)6-11(18-12(13)14(19)21-2)8-4-3-7(15)5-9(8)16;1-19-13-10(16)7-11(17-12(13)14(18)20-2)8-3-5-9(15)6-4-8;1-14-6-4(11)3(10)7(9)12-5(6)8(13)15-2/h4-6,16H,3H2,1-2H3,(H2,21,22);3-5,15H,1-2H3,(H2,20,21);3-6H,1-2H3,(H2,17,18);3-7H,1-2H3,(H2,16,17);1-2H3,(H2,11,12).
What are the key properties of ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate?
ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate has a molecular weight of 1605.51 g/mol, XLogP of 14.38, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 160592133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).