2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one

C86H90B2Br4N20O8 — CID 158540833

About 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one

2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 158540833) has the molecular formula C86H90B2Br4N20O8 and a molecular weight of 1873.04 g/mol. Its IUPAC name is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
• PubChem CID: 158540833
• Molecular Formula: C86H90B2Br4N20O8
• Molecular Weight: 1873.04 g/mol
• Exact Mass: 1868.42
• IUPAC Name: 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
• SMILES: Brc1ccc(Br)nn1.Brc1cccc(-c2nncn2C2CC2)n1.C.C.C.CC1(C)OB(c2ccc3c(c2)C(=O)NC3)OC1(C)C.O=C1NCc2ccc(-c3ccc(Br)nn3)cc21.O=C1NCc2ccc(-c3ccc(C4CC4)nn3)cc21.O=C1c2cc(-c3ccc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.OB(O)C1CC1
• InChI: InChI=1S/C25H21N7O.C15H13N3O.C14H18BNO3.C12H8BrN3O.C10H9BrN4.C4H2Br2N2.C3H7BO2.3CH4/c33-25-19-12-16(21-11-10-20(28-29-21)15-4-5-15)6-7-17(19)13-31(25)23-3-1-2-22(27-23)24-30-26-14-32(24)18-8-9-18;19-15-12-7-10(3-4-11(12)8-16-15)14-6-5-13(17-18-14)9-1-2-9;1-13(2)14(3,4)19-15(18-13)10-6-5-9-8-16-12(17)11(9)7-10;13-11-4-3-10(15-16-11)7-1-2-8-6-14-12(17)9(8)5-7;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;5-3-1-2-4(6)8-7-3;5-4(6)3-1-2-3;;;/h1-3,6-7,10-12,14-15,18H,4-5,8-9,13H2;3-7,9H,1-2,8H2,(H,16,19);5-7H,8H2,1-4H3,(H,16,17);1-5H,6H2,(H,14,17);1-3,6-7H,4-5H2;1-2H;3,5-6H,1-2H2;3*1H4
• InChIKey: HOMOLFWNAAFHAB-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 356.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1873.04
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one?

The IUPAC name of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one (CID 158540833) is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one?

The canonical SMILES for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one is Brc1ccc(Br)nn1.Brc1cccc(-c2nncn2C2CC2)n1.C.C.C.CC1(C)OB(c2ccc3c(c2)C(=O)NC3)OC1(C)C.O=C1NCc2ccc(-c3ccc(Br)nn3)cc21.O=C1NCc2ccc(-c3ccc(C4CC4)nn3)cc21.O=C1c2cc(-c3ccc(C4CC4)nn3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.OB(O)C1CC1.

What is the InChIKey of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one?

The InChIKey is HOMOLFWNAAFHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O.C15H13N3O.C14H18BNO3.C12H8BrN3O.C10H9BrN4.C4H2Br2N2.C3H7BO2.3CH4/c33-25-19-12-16(21-11-10-20(28-29-21)15-4-5-15)6-7-17(19)13-31(25)23-3-1-2-22(27-23)24-30-26-14-32(24)18-8-9-18;19-15-12-7-10(3-4-11(12)8-16-15)14-6-5-13(17-18-14)9-1-2-9;1-13(2)14(3,4)19-15(18-13)10-6-5-9-8-16-12(17)11(9)7-10;13-11-4-3-10(15-16-11)7-1-2-8-6-14-12(17)9(8)5-7;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;5-3-1-2-4(6)8-7-3;5-4(6)3-1-2-3;;;/h1-3,6-7,10-12,14-15,18H,4-5,8-9,13H2;3-7,9H,1-2,8H2,(H,16,19);5-7H,8H2,1-4H3,(H,16,17);1-5H,6H2,(H,14,17);1-3,6-7H,4-5H2;1-2H;3,5-6H,1-2H2;3*1H4.

What are the key properties of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one?

2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 1873.04 g/mol, XLogP of 15.78, 12 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-(6-bromopyridazin-3-yl)-2,3-dihydroisoindol-1-one;cyclopropylboronic acid;6-(6-cyclopropylpyridazin-3-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropylpyridazin-3-yl)-2,3-dihydroisoindol-1-one;3,6-dibromopyridazine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158540833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).