2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide

C124H127AlBBr3Cl3CuN18O21 — CID 159027319

About 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide

2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide (PubChem CID 159027319) has the molecular formula C124H127AlBBr3Cl3CuN18O21 and a molecular weight of 2652.90 g/mol. Its IUPAC name is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide.

Molecular Properties

• Compound Name: 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide
• PubChem CID: 159027319
• Molecular Formula: C124H127AlBBr3Cl3CuN18O21
• Molecular Weight: 2652.90 g/mol
• Exact Mass: 2646.52
• IUPAC Name: 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide
• SMILES: Brc1cccc(-c2nncn2C2CC2)n1.C.C.COC(=O)c1cc(OC)c(C)cc1Br.COC(=O)c1cc(OC)c(C)cc1C#N.COc1cc(C(=O)O)c(Br)cc1C.COc1cc(C(=O)O)ccc1C.COc1cc2c(cc1C)CNC2=O.Cc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(cc1-c1cccnc1)C(=O)NC2.Cc1cc2c(cc1C)C(=O)NC2.Cc1cc2c(cc1O)C(=O)NC2.Cl[Al](Cl)Cl.OB(O)c1cccnc1.[C-]#N.[Cu+]
• InChI: InChI=1S/C24H20N6O.C14H12N2O.C11H11NO3.C10H9BrN4.C10H11BrO3.C10H11NO2.C10H11NO.C9H9BrO3.C9H9NO2.C9H10O3.C5H6BNO2.CN.2CH4.Al.3ClH.Cu/c1-15-10-17-13-29(24(31)20(17)11-19(15)16-4-3-9-25-12-16)22-6-2-5-21(27-22)23-28-26-14-30(23)18-7-8-18;1-9-5-11-8-16-14(17)13(11)6-12(9)10-3-2-4-15-7-10;1-7-4-8(6-12)9(11(13)15-3)5-10(7)14-2;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;1-6-4-8(11)7(10(12)14-3)5-9(6)13-2;1-6-3-7-5-11-10(12)8(7)4-9(6)13-2;1-6-3-8-5-11-10(12)9(8)4-7(6)2;1-5-3-7(10)6(9(11)12)4-8(5)13-2;1-5-2-6-4-10-9(12)7(6)3-8(5)11;1-6-3-4-7(9(10)11)5-8(6)12-2;8-6(9)5-2-1-3-7-4-5;1-2;;;;;;;/h2-6,9-12,14,18H,7-8,13H2,1H3;2-7H,8H2,1H3,(H,16,17);4-5H,1-3H3;1-3,6-7H,4-5H2;4-5H,1-3H3;3-4H,5H2,1-2H3,(H,11,12);3-4H,5H2,1-2H3,(H,11,12);3-4H,1-2H3,(H,11,12);2-3,11H,4H2,1H3,(H,10,12);3-5H,1-2H3,(H,10,11);1-4,8-9H;;2*1H4;;3*1H;/q;;;;;;;;;;;-1;;;+3;;;;+1/p-3
• InChIKey: WVYYCSQSMMPINC-UHFFFAOYSA-K
• XLogP: 22.88
• TPSA: 544.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.90
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide?

The IUPAC name of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide (CID 159027319) is 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide.

What is the SMILES notation for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide?

The canonical SMILES for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide is Brc1cccc(-c2nncn2C2CC2)n1.C.C.COC(=O)c1cc(OC)c(C)cc1Br.COC(=O)c1cc(OC)c(C)cc1C#N.COc1cc(C(=O)O)c(Br)cc1C.COc1cc(C(=O)O)ccc1C.COc1cc2c(cc1C)CNC2=O.Cc1cc2c(cc1-c1cccnc1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(cc1-c1cccnc1)C(=O)NC2.Cc1cc2c(cc1C)C(=O)NC2.Cc1cc2c(cc1O)C(=O)NC2.Cl[Al](Cl)Cl.OB(O)c1cccnc1.[C-]#N.[Cu+].

What is the InChIKey of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide?

The InChIKey is WVYYCSQSMMPINC-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H20N6O.C14H12N2O.C11H11NO3.C10H9BrN4.C10H11BrO3.C10H11NO2.C10H11NO.C9H9BrO3.C9H9NO2.C9H10O3.C5H6BNO2.CN.2CH4.Al.3ClH.Cu/c1-15-10-17-13-29(24(31)20(17)11-19(15)16-4-3-9-25-12-16)22-6-2-5-21(27-22)23-28-26-14-30(23)18-7-8-18;1-9-5-11-8-16-14(17)13(11)6-12(9)10-3-2-4-15-7-10;1-7-4-8(6-12)9(11(13)15-3)5-10(7)14-2;11-9-3-1-2-8(13-9)10-14-12-6-15(10)7-4-5-7;1-6-4-8(11)7(10(12)14-3)5-9(6)13-2;1-6-3-7-5-11-10(12)8(7)4-9(6)13-2;1-6-3-8-5-11-10(12)9(8)4-7(6)2;1-5-3-7(10)6(9(11)12)4-8(5)13-2;1-5-2-6-4-10-9(12)7(6)3-8(5)11;1-6-3-4-7(9(10)11)5-8(6)12-2;8-6(9)5-2-1-3-7-4-5;1-2;;;;;;;/h2-6,9-12,14,18H,7-8,13H2,1H3;2-7H,8H2,1H3,(H,16,17);4-5H,1-3H3;1-3,6-7H,4-5H2;4-5H,1-3H3;3-4H,5H2,1-2H3,(H,11,12);3-4H,5H2,1-2H3,(H,11,12);3-4H,1-2H3,(H,11,12);2-3,11H,4H2,1H3,(H,10,12);3-5H,1-2H3,(H,10,11);1-4,8-9H;;2*1H4;;3*1H;/q;;;;;;;;;;;-1;;;+3;;;;+1/p-3.

What are the key properties of 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide?

2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide has a molecular weight of 2652.90 g/mol, XLogP of 22.88, 17 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;2-bromo-5-methoxy-4-methylbenzoic acid;copper(1+);2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methyl-6-pyridin-3-yl-3H-isoindol-1-one;5,6-dimethyl-2,3-dihydroisoindol-1-one;6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one;methane;3-methoxy-4-methylbenzoic acid;6-methoxy-5-methyl-2,3-dihydroisoindol-1-one;methyl 2-bromo-5-methoxy-4-methylbenzoate;methyl 2-cyano-5-methoxy-4-methylbenzoate;5-methyl-6-pyridin-3-yl-2,3-dihydroisoindol-1-one;pyridin-3-ylboronic acid;trichloroalumane;cyanide is sourced from PubChem (CID 159027319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).