2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid

C75H65BBr2N16O14 — CID 159790753

About 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid

2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid (PubChem CID 159790753) has the molecular formula C75H65BBr2N16O14 and a molecular weight of 1585.06 g/mol. Its IUPAC name is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid
• PubChem CID: 159790753
• Molecular Formula: C75H65BBr2N16O14
• Molecular Weight: 1585.06 g/mol
• Exact Mass: 1582.33
• IUPAC Name: 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid
• SMILES: Brc1cccc(-c2nncn2C2CC2)n1.COC(=O)c1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COC(=O)c1cc2c(cc1-c1cccnc1)C(=O)NC2.COC(=O)c1cc2c(cc1Br)C(=O)NC2.COC(=O)c1cc2c(cc1N)C(=O)NC2.OB(O)c1cccnc1
• InChI: InChI=1S/C25H20N6O3.C15H12N2O3.C10H9BrN4.C10H8BrNO3.C10H10N2O3.C5H6BNO2/c1-34-25(33)20-10-16-13-30(24(32)19(16)11-18(20)15-4-3-9-26-12-15)22-6-2-5-21(28-22)23-29-27-14-31(23)17-7-8-17;1-20-15(19)13-5-10-8-17-14(18)12(10)6-11(13)9-3-2-4-16-7-9;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;2*1-15-10(14)7-2-5-4-12-9(13)6(5)3-8(7)11;8-6(9)5-2-1-3-7-4-5/h2-6,9-12,14,17H,7-8,13H2,1H3;2-7H,8H2,1H3,(H,17,18);1-3,6-7H,4-5H2;2-3H,4H2,1H3,(H,12,13);2-3H,4,11H2,1H3,(H,12,13);1-4,8-9H
• InChIKey: NINHBJMOAKUOGI-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 405.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1585.06
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid?

The IUPAC name of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid (CID 159790753) is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid.

What is the SMILES notation for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid?

The canonical SMILES for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid is Brc1cccc(-c2nncn2C2CC2)n1.COC(=O)c1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.COC(=O)c1cc2c(cc1-c1cccnc1)C(=O)NC2.COC(=O)c1cc2c(cc1Br)C(=O)NC2.COC(=O)c1cc2c(cc1N)C(=O)NC2.OB(O)c1cccnc1.

What is the InChIKey of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid?

The InChIKey is NINHBJMOAKUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3.C15H12N2O3.C10H9BrN4.C10H8BrNO3.C10H10N2O3.C5H6BNO2/c1-34-25(33)20-10-16-13-30(24(32)19(16)11-18(20)15-4-3-9-26-12-15)22-6-2-5-21(28-22)23-29-27-14-31(23)17-7-8-17;1-20-15(19)13-5-10-8-17-14(18)12(10)6-11(13)9-3-2-4-16-7-9;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;2*1-15-10(14)7-2-5-4-12-9(13)6(5)3-8(7)11;8-6(9)5-2-1-3-7-4-5/h2-6,9-12,14,17H,7-8,13H2,1H3;2-7H,8H2,1H3,(H,17,18);1-3,6-7H,4-5H2;2-3H,4H2,1H3,(H,12,13);2-3H,4,11H2,1H3,(H,12,13);1-4,8-9H.

What are the key properties of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid?

2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid has a molecular weight of 1585.06 g/mol, XLogP of 8.44, 12 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;methyl 6-amino-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 6-bromo-1-oxo-2,3-dihydroisoindole-5-carboxylate;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate;methyl 1-oxo-6-pyridin-3-yl-2,3-dihydroisoindole-5-carboxylate;pyridin-3-ylboronic acid is sourced from PubChem (CID 159790753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).