5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid

C108H92BrF9N10O15 — CID 173114679

About 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid

5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid (PubChem CID 173114679) has the molecular formula C108H92BrF9N10O15 and a molecular weight of 2020.86 g/mol. Its IUPAC name is 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid
• PubChem CID: 173114679
• Molecular Formula: C108H92BrF9N10O15
• Molecular Weight: 2020.86 g/mol
• Exact Mass: 2018.58
• IUPAC Name: 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid
• SMILES: CCOc1cccc(-c2cc(F)c(Nc3ncc(Br)cc3C(=O)O)cc2F)c1.CCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1.CCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1.CCc1cnc(Nc2c(F)cc(-c3cccc(OC)c3)cc2F)c(C(=O)O)c1.COc1cccc(-c2cc(F)c(Nc3ncc(C)cc3C(=O)O)cc2C)c1
• InChI: InChI=1S/2C23H20F2N2O3.C21H18F2N2O3.C21H19FN2O3.C20H15BrF2N2O3/c1-2-30-17-5-3-4-14(8-17)15-10-19(24)21(20(25)11-15)27-22-18(23(28)29)9-16(12-26-22)13-6-7-13;1-2-30-16-5-3-4-14(8-16)17-10-20(25)21(11-19(17)24)27-22-18(23(28)29)9-15(12-26-22)13-6-7-13;1-3-12-7-16(21(26)27)20(24-11-12)25-19-17(22)9-14(10-18(19)23)13-5-4-6-15(8-13)28-2;1-12-7-17(21(25)26)20(23-11-12)24-19-8-13(2)16(10-18(19)22)14-5-4-6-15(9-14)27-3;1-2-28-13-5-3-4-11(6-13)14-8-17(23)18(9-16(14)22)25-19-15(20(26)27)7-12(21)10-24-19/h2*3-5,8-13H,2,6-7H2,1H3,(H,26,27)(H,28,29);4-11H,3H2,1-2H3,(H,24,25)(H,26,27);4-11H,1-3H3,(H,23,24)(H,25,26);3-10H,2H2,1H3,(H,24,25)(H,26,27)
• InChIKey: NLANIKQMYHMDQW-UHFFFAOYSA-N
• XLogP: 27.11
• TPSA: 357.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2020.86
LogP ≤ 5	27.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid?

The IUPAC name of 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid (CID 173114679) is 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid.

What is the SMILES notation for 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid?

The canonical SMILES for 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid is CCOc1cccc(-c2cc(F)c(Nc3ncc(Br)cc3C(=O)O)cc2F)c1.CCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1.CCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1.CCc1cnc(Nc2c(F)cc(-c3cccc(OC)c3)cc2F)c(C(=O)O)c1.COc1cccc(-c2cc(F)c(Nc3ncc(C)cc3C(=O)O)cc2C)c1.

What is the InChIKey of 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid?

The InChIKey is NLANIKQMYHMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20F2N2O3.C21H18F2N2O3.C21H19FN2O3.C20H15BrF2N2O3/c1-2-30-17-5-3-4-14(8-17)15-10-19(24)21(20(25)11-15)27-22-18(23(28)29)9-16(12-26-22)13-6-7-13;1-2-30-16-5-3-4-14(8-16)17-10-20(25)21(11-19(17)24)27-22-18(23(28)29)9-15(12-26-22)13-6-7-13;1-3-12-7-16(21(26)27)20(24-11-12)25-19-17(22)9-14(10-18(19)23)13-5-4-6-15(8-13)28-2;1-12-7-17(21(25)26)20(23-11-12)24-19-8-13(2)16(10-18(19)22)14-5-4-6-15(9-14)27-3;1-2-28-13-5-3-4-11(6-13)14-8-17(23)18(9-16(14)22)25-19-15(20(26)27)7-12(21)10-24-19/h2*3-5,8-13H,2,6-7H2,1H3,(H,26,27)(H,28,29);4-11H,3H2,1-2H3,(H,24,25)(H,26,27);4-11H,1-3H3,(H,23,24)(H,25,26);3-10H,2H2,1H3,(H,24,25)(H,26,27).

What are the key properties of 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid?

5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid has a molecular weight of 2020.86 g/mol, XLogP of 27.11, 31 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]-5-ethylpyridine-3-carboxylic acid;2-[2-fluoro-4-(3-methoxyphenyl)-5-methylanilino]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 173114679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).