5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C83H79B2BrF4IN15O5 — CID 160977890

About 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 160977890) has the molecular formula C83H79B2BrF4IN15O5 and a molecular weight of 1671.07 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 160977890
• Molecular Formula: C83H79B2BrF4IN15O5
• Molecular Weight: 1671.07 g/mol
• Exact Mass: 1669.47
• IUPAC Name: 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CC(C)(C)C(=O)Nc1ncccc1B1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cccnc2)OC1(C)C.Cc1ncccc1-c1cc(-c2cccnc2)cnc1F.Fc1ccc(-c2cccnc2)cn1.Fc1ccc(Br)cn1.Fc1ncc(-c2cccnc2)cc1I.c1cncc(-c2cnc3[nH]c4ncccc4c3c2)c1
• InChI: InChI=1S/C16H25BN2O3.C16H12FN3.C15H10N4.C11H16BNO2.C10H6FIN2.C10H7FN2.C5H3BrFN/c1-14(2,3)13(20)19-12-11(9-8-10-18-12)17-21-15(4,5)16(6,7)22-17;1-11-14(5-3-7-19-11)15-8-13(10-20-16(15)17)12-4-2-6-18-9-12;1-3-10(8-16-5-1)11-7-13-12-4-2-6-17-14(12)19-15(13)18-9-11;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;11-10-9(12)4-8(6-14-10)7-2-1-3-13-5-7;11-10-4-3-9(7-13-10)8-2-1-5-12-6-8;6-4-1-2-5(7)8-3-4/h8-10H,1-7H3,(H,18,19,20);2-10H,1H3;1-9H,(H,17,18,19);5-8H,1-4H3;1-6H;1-7H;1-3H
• InChIKey: SZCQFTAEFINOJI-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 249.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.07
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 160977890) is 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(C)(C)C(=O)Nc1ncccc1B1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cccnc2)OC1(C)C.Cc1ncccc1-c1cc(-c2cccnc2)cnc1F.Fc1ccc(-c2cccnc2)cn1.Fc1ccc(Br)cn1.Fc1ncc(-c2cccnc2)cc1I.c1cncc(-c2cnc3[nH]c4ncccc4c3c2)c1.

What is the InChIKey of 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is SZCQFTAEFINOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O3.C16H12FN3.C15H10N4.C11H16BNO2.C10H6FIN2.C10H7FN2.C5H3BrFN/c1-14(2,3)13(20)19-12-11(9-8-10-18-12)17-21-15(4,5)16(6,7)22-17;1-11-14(5-3-7-19-11)15-8-13(10-20-16(15)17)12-4-2-6-18-9-12;1-3-10(8-16-5-1)11-7-13-12-4-2-6-17-14(12)19-15(13)18-9-11;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;11-10-9(12)4-8(6-14-10)7-2-1-3-13-5-7;11-10-4-3-9(7-13-10)8-2-1-5-12-6-8;6-4-1-2-5(7)8-3-4/h8-10H,1-7H3,(H,18,19,20);2-10H,1H3;1-9H,(H,17,18,19);5-8H,1-4H3;1-6H;1-7H;1-3H.

What are the key properties of 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 1671.07 g/mol, XLogP of 17.73, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;2,2-dimethyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide;2-fluoro-3-iodo-5-pyridin-3-ylpyridine;2-fluoro-3-(2-methyl-3-pyridinyl)-5-pyridin-3-ylpyridine;2-fluoro-5-pyridin-3-ylpyridine;4-pyridin-3-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 160977890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).