bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C103H91B4Br3F14N14O15 — CID 158522464

About bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158522464) has the molecular formula C103H91B4Br3F14N14O15 and a molecular weight of 2313.88 g/mol. Its IUPAC name is bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158522464
• Molecular Formula: C103H91B4Br3F14N14O15
• Molecular Weight: 2313.88 g/mol
• Exact Mass: 2310.45
• IUPAC Name: bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(Br)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(Br)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(Br)cc1C(=O)O.Nc1ccc(F)c(F)c1
• InChI: InChI=1S/C26H16F4N4O.2C13H11BF2N2O3.2C13H9BrF2N2O.C12H24B2O4.C7H6BrNO2.C6H5F2N/c1-14-19(26(35)33-16-7-8-20(27)22(29)11-16)10-15(12-31-14)17-5-3-9-34-23(17)13-32-25(34)18-4-2-6-21(28)24(18)30;2*1-7-10(4-8(6-17-7)14(20)21)13(19)18-9-2-3-11(15)12(16)5-9;2*1-7-10(4-8(14)6-17-7)13(19)18-9-2-3-11(15)12(16)5-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4-6(7(10)11)2-5(8)3-9-4;7-5-2-1-4(9)3-6(5)8/h2-13H,1H3,(H,33,35);2*2-6,20-21H,1H3,(H,18,19);2*2-6H,1H3,(H,18,19);1-8H3;2-3H,1H3,(H,10,11);1-3H,9H2
• InChIKey: HMJNOHAWQVILFI-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 421.30 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2313.88
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158522464) is bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(B(O)O)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(Br)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(Br)cc1C(=O)Nc1ccc(F)c(F)c1.Cc1ncc(Br)cc1C(=O)O.Nc1ccc(F)c(F)c1.

What is the InChIKey of bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HMJNOHAWQVILFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N4O.2C13H11BF2N2O3.2C13H9BrF2N2O.C12H24B2O4.C7H6BrNO2.C6H5F2N/c1-14-19(26(35)33-16-7-8-20(27)22(29)11-16)10-15(12-31-14)17-5-3-9-34-23(17)13-32-25(34)18-4-2-6-21(28)24(18)30;2*1-7-10(4-8(6-17-7)14(20)21)13(19)18-9-2-3-11(15)12(16)5-9;2*1-7-10(4-8(14)6-17-7)13(19)18-9-2-3-11(15)12(16)5-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-4-6(7(10)11)2-5(8)3-9-4;7-5-2-1-4(9)3-6(5)8/h2-13H,1H3,(H,33,35);2*2-6,20-21H,1H3,(H,18,19);2*2-6H,1H3,(H,18,19);1-8H3;2-3H,1H3,(H,10,11);1-3H,9H2.

What are the key properties of bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2313.88 g/mol, XLogP of 20.39, 16 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158522464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).