4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate

C47H40Cl2F10N8O13 — CID 159389179

About 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate

4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate (PubChem CID 159389179) has the molecular formula C47H40Cl2F10N8O13 and a molecular weight of 1185.77 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-(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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate
• PubChem CID: 159389179
• Molecular Formula: C47H40Cl2F10N8O13
• Molecular Weight: 1185.77 g/mol
• Exact Mass: 1184.19
• IUPAC Name: 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate
• SMILES: C=Cc1nc(C(=O)OC)c(OC)c(N)c1F.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.COC(=O)c1nc(Cl)c(F)c(N)c1OC.COc1c(C(=O)O)nc(-c2ccc(C(F)(F)F)c(F)c2)c(F)c1N
• InChI: InChI=1S/C15H12ClF3N2O4.C14H9F5N2O3.C10H11FN2O3.C8H8ClFN2O3/c1-23-12-7(16)4-3-6(10(12)17)9-5-8(20)13(25-15(18)19)11(21-9)14(22)24-2;1-24-12-9(20)8(16)10(21-11(12)13(22)23)5-2-3-6(7(15)4-5)14(17,18)19;1-4-5-6(11)7(12)9(15-2)8(13-5)10(14)16-3;1-14-6-4(11)3(10)7(9)12-5(6)8(13)15-2/h3-5,15H,1-2H3,(H2,20,21);2-4H,1H3,(H2,20,21)(H,22,23);4H,1H2,2-3H3,(H2,12,13);1-2H3,(H2,11,12)
• InChIKey: LLWVVCVBSKIQJV-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 317.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1185.77
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

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-(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-ethenyl-5-fluoro-3-methoxypyridine-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-(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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate (CID 159389179) is 4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;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-ethenyl-5-fluoro-3-methoxypyridine-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-(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-ethenyl-5-fluoro-3-methoxypyridine-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-(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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate is C=Cc1nc(C(=O)OC)c(OC)c(N)c1F.COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1OC(F)F.COC(=O)c1nc(Cl)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-(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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate?

The InChIKey is LLWVVCVBSKIQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O4.C14H9F5N2O3.C10H11FN2O3.C8H8ClFN2O3/c1-23-12-7(16)4-3-6(10(12)17)9-5-8(20)13(25-15(18)19)11(21-9)14(22)24-2;1-24-12-9(20)8(16)10(21-11(12)13(22)23)5-2-3-6(7(15)4-5)14(17,18)19;1-4-5-6(11)7(12)9(15-2)8(13-5)10(14)16-3;1-14-6-4(11)3(10)7(9)12-5(6)8(13)15-2/h3-5,15H,1-2H3,(H2,20,21);2-4H,1H3,(H2,20,21)(H,22,23);4H,1H2,2-3H3,(H2,12,13);1-2H3,(H2,11,12).

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-(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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate?

4-amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid;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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate has a molecular weight of 1185.77 g/mol, XLogP of 9.35, 13 rotatable bonds, 5 hydrogen bond donors, and 20 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-(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-ethenyl-5-fluoro-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 159389179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).