4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate

C85H93F13N12O18Si3 — CID 161157655

IUPAC4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate
SMILESC=Cc1nc(C(=O)OC)c(OC)c(N)c1F.CCc1nc(C(=O)OC)c(OC)c(N)c1F.COC(=O)c1nc(-c2ccc([Si](C)(C)C)c(F)c2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc([Si](C)(C)C)c(F)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc([Si](C)(C)C)cc2)c(F)c(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N
InChIInChI=1S/C17H19F3N2O3Si.C17H20F2N2O3Si.C17H21FN2O3Si.C14H9F5N2O3.C10H13FN2O3.C10H11FN2O3/c1-24-16-13(21)12(20)14(22-15(16)17(23)25-2)8-6-7-9(26(3,4)5)11(19)10(8)18;1-23-16-13(20)12(19)14(21-15(16)17(22)24-2)9-6-7-11(10(18)8-9)25(3,4)5;1-22-16-13(19)12(18)14(20-15(16)17(21)23-2)10-6-8-11(9-7-10)24(3,4)5;1-24-12-9(20)8(16)10(21-11(12)13(22)23)5-2-3-6(7(15)4-5)14(17,18)19;2*1-4-5-6(11)7(12)9(15-2)8(13-5)10(14)16-3/h6-7H,1-5H3,(H2,21,22);6-8H,1-5H3,(H2,20,21);6-9H,1-5H3,(H2,19,20);2-4H,1H3,(H2,20,21)(H,22,23);4H2,1-3H3,(H2,12,13);4H,1H2,2-3H3,(H2,12,13)
InChIKeyUPMUEYABIWLBEQ-UHFFFAOYSA-N
MW1901.98 g/mol
LogP14.58
Rot. Bonds21

About 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate

4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate (PubChem CID 161157655) has the molecular formula C85H93F13N12O18Si3 and a molecular weight of 1901.98 g/mol. Its IUPAC name is 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate
PubChem CID161157655
Molecular FormulaC85H93F13N12O18Si3
Molecular Weight1901.98 g/mol
Exact Mass1900.58
IUPAC Name4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate
SMILESC=Cc1nc(C(=O)OC)c(OC)c(N)c1F.CCc1nc(C(=O)OC)c(OC)c(N)c1F.COC(=O)c1nc(-c2ccc([Si](C)(C)C)c(F)c2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc([Si](C)(C)C)c(F)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc([Si](C)(C)C)cc2)c(F)c(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N
InChIInChI=1S/C17H19F3N2O3Si.C17H20F2N2O3Si.C17H21FN2O3Si.C14H9F5N2O3.C10H13FN2O3.C10H11FN2O3/c1-24-16-13(21)12(20)14(22-15(16)17(23)25-2)8-6-7-9(26(3,4)5)11(19)10(8)18;1-23-16-13(20)12(19)14(21-15(16)17(22)24-2)9-6-7-11(10(18)8-9)25(3,4)5;1-22-16-13(19)12(18)14(20-15(16)17(21)23-2)10-6-8-11(9-7-10)24(3,4)5;1-24-12-9(20)8(16)10(21-11(12)13(22)23)5-2-3-6(7(15)4-5)14(17,18)19;2*1-4-5-6(11)7(12)9(15-2)8(13-5)10(14)16-3/h6-7H,1-5H3,(H2,21,22);6-8H,1-5H3,(H2,20,21);6-9H,1-5H3,(H2,19,20);2-4H,1H3,(H2,20,21)(H,22,23);4H2,1-3H3,(H2,12,13);4H,1H2,2-3H3,(H2,12,13)
InChIKeyUPMUEYABIWLBEQ-UHFFFAOYSA-N
XLogP14.58
TPSA457.64 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001901.98
LogP ≤ 514.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate?
The IUPAC name of 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate (CID 161157655) is 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate?
The canonical SMILES for 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate is C=Cc1nc(C(=O)OC)c(OC)c(N)c1F.CCc1nc(C(=O)OC)c(OC)c(N)c1F.COC(=O)c1nc(-c2ccc([Si](C)(C)C)c(F)c2)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc([Si](C)(C)C)c(F)c2F)c(F)c(N)c1OC.COC(=O)c1nc(-c2ccc([Si](C)(C)C)cc2)c(F)c(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N.
What is the InChIKey of 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate?
The InChIKey is UPMUEYABIWLBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3Si.C17H20F2N2O3Si.C17H21FN2O3Si.C14H9F5N2O3.C10H13FN2O3.C10H11FN2O3/c1-24-16-13(21)12(20)14(22-15(16)17(23)25-2)8-6-7-9(26(3,4)5)11(19)10(8)18;1-23-16-13(20)12(19)14(21-15(16)17(22)24-2)9-6-7-11(10(18)8-9)25(3,4)5;1-22-16-13(19)12(18)14(20-15(16)17(21)23-2)10-6-8-11(9-7-10)24(3,4)5;1-24-12-9(20)8(16)10(21-11(12)13(22)23)5-2-3-6(7(15)4-5)14(17,18)19;2*1-4-5-6(11)7(12)9(15-2)8(13-5)10(14)16-3/h6-7H,1-5H3,(H2,21,22);6-8H,1-5H3,(H2,20,21);6-9H,1-5H3,(H2,19,20);2-4H,1H3,(H2,20,21)(H,22,23);4H2,1-3H3,(H2,12,13);4H,1H2,2-3H3,(H2,12,13).
What are the key properties of 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate?
4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate has a molecular weight of 1901.98 g/mol, XLogP of 14.58, 21 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(2,3-difluoro-4-trimethylsilylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-ethyl-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-trimethylsilylphenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-(4-trimethylsilylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 161157655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).